Results for:
PubChem ID: 6212

Chloroform

Mass-Spectra

Compound Details

Synonymous names
CHLOROFORM
Trichloromethane
67-66-3
Trichlormethan
Formyl trichloride
Trichloroform
Methane, trichloro-
Methenyl trichloride
Chloroforme
Methyl trichloride
Methane trichloride
CHCl3
R 20 (Refrigerant)
Triclorometano
Cloroformio
Trichloormethaan
Freon 20
1,1,1-Trichloromethane
Methenyl chloride
RCRA waste number U044
NCI-C02686
Chloroformum
Caswell No. 192
Chloroform bp
Methylidyne trichloride
HSDB 56
Refrigerant R20
CCRIS 137
NSC 77361
trichloro-methane
Hcc 20
R 20
EINECS 200-663-8
NSC-77361
EPA Pesticide Chemical Code 020701
UNII-7V31YC746X
BRN 1731042
DTXSID1020306
CHEBI:35255
AI3-24207
7V31YC746X
Chloroform [UN1888] [Poison]
chloroformium pro narcosi
DTXCID10306
EC 200-663-8
4-01-00-00042 (Beilstein Handbook Reference)
NSC77361
NCGC00090794-01
chloroform CHCl3
CHLOROFORM (II)
CHLOROFORM [II]
Chloroform, HPLC Grade
CHLOROFORM (IARC)
CHLOROFORM [IARC]
CHLOROFORM (MART.)
CHLOROFORM [MART.]
CHLOROFORM (USP-RS)
CHLOROFORM [USP-RS]
Chloroform, analytical standard
Chloroforme [French]
Cloroformio [Italian]
Trichlormethan [Czech]
Chloroform [NF XVII]
Trichloormethaan [Dutch]
Triclorometano [Italian]
MFCD00000826
CAS-67-66-3
Chloroform [NF]
CHLOROBUTANOL IMPURITY A (EP IMPURITY)
CHLOROBUTANOL IMPURITY A [EP IMPURITY]
CHLOROFORM, ACS
CHLOROFORMWith Amylene
CHLOROFORMWith Ethanol
UN1888
RCRA waste no. U044
chlorform
chloroforrn
cloroform
trichlormethane
chloro form
chloro-form
Chloroform-
Chloroform, for HPLC, >=99.8%, contains 0.5-1.0% ethanol as stabilizer
trichloro- methane
methane trichloride
tris(chloranyl)methane
CCl3H
HCCl3
Chloroform, for HPLC
Trichloromethane, 9CI
CHLOROFORM [MI]
Chloroform, ethanol-free
Trichlormethan/Chloroform
WLN: GYGG
CHLOROFORM [HSDB]
CHLOROFORM [INCI]
CHLOROFORM [VANDF]
CHLOROFORMUM [HPUS]
R 20(REFRIGERANT)
CHLOROFORM [WHO-DD]
Pesticide Code: 020701
CHEMBL44618
Chloroform, p.a., 99.8%
GTPL2503
NCI-CO2686
CHLOROFORM [GREEN BOOK]
DTXSID10953654
R 20 (VAN)
Chloroform with Amylene HPLC grade
Chloroform, Spectrophotometric Grade
Chloroform (stabilized with ethanol)
Tox21_111024
Tox21_202494
Chloroform, for HPLC, >=99.5%
Chloroform, for HPLC, >=99.8%
AKOS000269026
Chloroform 100 microg/mL in Methanol
DB11387
InChI=1/CHCl3/c2-1(3)4/h1
MCULE-5607930311
UN 1888
Chloroform 5000 microg/mL in Methanol
Chloroform, purification grade, >=99%
NCGC00090794-02
NCGC00260043-01
F 20
R-20
Chloroform (Stabilized with ~1% Ethanol)
Trichloromethane 10 microg/mL in Methanol
Chloroform, JIS special grade, >=99.0%
Trichloromethane 100 microg/mL in Methanol
C0819
NS00007346
Trichloromethane 5000 microg/mL in Methanol
Chloroform, HPLC grade stabilized with ethanol
Chloroform (stabilized with 2-Methyl-2-butene)
Chloroform, SAJ super special grade, >=99.0%
A835850
L023971
Q172275
BRD-K88785477-001-01-8
Chloroform (Anhydrous) Contains Amylenes as stabilizer
Chloroform, for HPLC, >=99.8%, amylene stabilized
Chloroform, 99.8%, ACS Reagent stabilized with Ethanol
Chloroform, technical, amylene stabilized, >=99% (GC)
F0001-1775
Chloroform, technical grade, 95%, contains 50 ppm Amylene
Chloroform, anhydrous, contains amylenes as stabilizer, >=99%
Chloroform, for HPLC, >=99.8% (chloroform + ethanol, GC)
Chloroform stabilized with 50-200 ppm Amylene ACS Reagent Grade
Chloroform, >=99%, PCR Reagent, contains amylenes as stabilizer
Chloroform, ACS reagent, >=99.8%, contains amylenes as stabilizer
Chloroform, AR, contains 1-2% ethanol as stabilizer, >=99.5%
Chloroform, AR, contains 100 ppm amylene as stabilizer, >=99.5%
Chloroform, contains 100-200 ppm amylenes as stabilizer, >=99.5%
Chloroform, contains amylenes as stabilizer, ACS reagent, >=99.8%
Chloroform, contains ethanol as stabilizer, ACS reagent, >=99.8%
Chloroform, LR, contains 100 ppm amylene as stabilizer, >=99%
Chloroform, p.a., ACS reagent, 99.8%, contains 0.005% Amylene
Chloroform, SAJ first grade, >=99.0%, contains 0.4-0.8% ethanol
Chloroform, UV HPLC spectroscopic, 99.9%, contains 50 ppm Amylene
Chloroform, ACS reagent, Reag. Ph. Eur., contains ethanol as stabilizer
Chloroform, anhydrous, >=99%, contains 0.5-1.0% ethanol as stabilizer
Chloroform, Pharmaceutical Secondary Standard; Certified Reference Material
Chloroform, puriss. p.a., reag. ISO, reag. Ph. Eur., 99.0-99.4% (GC)
Chloroform, UV HPLC spectroscopic, 99.0%, contains 0.6-1.0% Ethanol
Chloroform, ACS reagent, >=99.8%, contains 0.5-1.0% ethanol as stabilizer
Chloroform, ACS spectrophotometric grade, >=99.8%, contains amylenes as stabilizer
Chloroform, biotech. grade, >=99.8%, contains 0.5-1.0% ethanol as stabilizer
Chloroform, p.a., ACS reagent, reag. ISO, 99.8%, contains 50 ppm Amylene
Chloroform, puriss. p.a., ACS reagent, >=99.8% (chloroform + ethanol, GC)
Chloroform, ReagentPlus(R), >=99.8%, contains 0.5-1.0% ethanol as stabilizer
Residual Solvent Class 2 - Chloroform, United States Pharmacopeia (USP) Reference Standard
Chloroform, ACS spectrophotometric grade, >=99.8%, contains 0.5-1.0% ethanol as stabilizer
Chloroform, contains ethanol as stabilizer, meets analytical specification of DAB9, BP, 99-99.4% (GC)
Residual Solvent - Chloroform, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC namechloroform
SMILESC(Cl)(Cl)Cl
InchiInChI=1S/CHCl3/c2-1(3)4/h1H
FormulaCHCl3
PubChem ID6212
Molweight119.37
LogP2.3
Atoms4
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationhalogenated compounds chlorides
CHEBI-ID35255
Supernatural-IDSN0123153

mVOC Specific Details

Boiling Point
DegreeReference
61.12 °C peer reviewed
Volatilization
The Henry's Law constant for chloroform is 3.67X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that chloroform is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.4 days(SRC). Three laboratory studies of the evaporation of chloroform from water gave half-lives of 3-5.6 hrs with moderate mixing conditions(3-5). Chloroform volatilization constants were estimated in chilled (4 deg C) and boiled (100 deg C) water to be 0.88/hour and 1.50/hour, respectively(6). Estimated volatilization constants in experiments at 25 and 30 deg C ranged from 0.055/hour to 0.411/hour depending on the width and liquid level in the glass(6). Chloroform's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Chloroform is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 197 mm Hg(7).
Literature: (1) Gossett JM; Environ Sci Tech 21: 202-6 (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Smith JH et al; Environ Sci Technol 14: 190-6 (1980) (4) Rathbun RE, Tai DY; Water Res 15: 243-50 (1981) (5) Robert PV, Dandliker PG; Environ Sci Technol 17: 484-9 (1983) (6) Batterman S et al; Environ Sci Technol 34: 4418-24 (2000) (7) Boublik T et al; The Vapor Pressures of Pure Substances, Vol. 17; Amsterdam, Netherlands: Elsevier Sci (1984)
Soil Adsorption
A soil sorption study was conducted on chloroform in three distinctly different soils(1). Soils used were from Missouri (composed of 11.4% sand, 52.7% silt, 33.4% clay, 2.4% organic matter, at pH 6.9), California (composed of 45.1% sand, 35.2% silt, 21.7% clay, organic matter 1.7%, at pH 8.1), and Florida (composed of 91.7% sand, 6.3% silt, 2.0% clay, 1.6% organic matter, at pH 4.7)(1). The ratio of the amount of contaminant adsorbed in micrograms per gram of soil to the equilibrium concn in ppm was used to calculate a Kd value of 2.133 in the Missouri soil, 1.941 in the California soil, and 1.763 in the Florida soil(1). These values correspond to a Koc value ranging from 153-196 based upon the relationship between Kd and Koc(2). Chloroform is adsorbed most strongly to peat moss, less strongly to clay, very slightly to dolomite limestone and not at all to sand(3). The Koc values measured for 2 soils was 34; 3 other soils with the lowest organic carbon content in the same study gave no appreciable adsorption(4). Field experiments in which chloroform was injected into an aquifer and the concn in a series of observation wells determined, demonstrated that chloroform is very poorly retained by aquifer material (retardation factor 2-4), less so than other C1- and C2-halogenated compounds studied(4-5). Laboratory percolation studies with a sandy soil gave similar results (retardation factor <1.5)(6). Chloroform was reported to have a Koc of 65(7), 55(8), 47(9) and 34(10). According to a classification scheme(11), these Koc values suggest that chloroform is expected to have very high to moderate mobility in soil.
Literature: (1) Dural NH, Peng D; Hazard Ind Wastes 27: 528-37 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-2 (1990) (3) Dilling WL et al; Environ Sci Technol 9: 833-8 (1975) (4) Hutzler NJ et al; Amer Chem Soc 186th Mtg Div Environ Chem Preprint 23: 499-502 (1983) (5) Roberts PV et al; Water Res 16: 1025-35 (1982) (6) Wilson JT et al; J Environ Qual 10: 501-6 (1981) (7) Borisover MD, Graber ER; Chemosphere 34: 1761-76 (1997) (8) Harrison EM, Barker JF; J Contamin Hydrol 1: 349-73 (1987) (9) Chu W, Chan K-H; Sci Total Environ 248: 1-10 (2000) (10) Washington JW, Cameron BA; Environ Toxicol Chem 20: 1909-15 (2001) (11) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
197 mm Hg at 25 deg CBoublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin et al. 2021
ProkaryotaRalstonia SolanacearumnanaSpraker et al. 2014
EukaryotaAspergillus FlavusnanaSpraker et al. 2014
ProkaryotaAchromobacter Sp.NANAAlmeida et al. 2022
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FlavusSNA mediaSPME/GC-MSno
ProkaryotaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSno
EukaryotaAspergillus Flavusglucose minimal mediumSPME-GC/MSno
ProkaryotaAchromobacter Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaPeribacillus Sp.MOLPHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.Schaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.tryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno