Product Description

ProductCHLOROFORM-D
CAS865-49-6
FormulaCDCl3
SynonymTrichloromethane-d, Deuterochloroform, (2H)chloroform, Trichloromethane-d1

Typical Product Specifications

Molecular weight380.44
EINECS201-635-8
SMILESc12c(\N=N\c3c(cc(\N=N\c4c(cccc4)C)cc3)C)c(ccc1cccc2)O
InChI1S/C24H20N4O/c1-16-7-3-6-10-21(16)26-25-19-12-13-22(17(2)15-19)27-28-24-20-9-5-4-8-18(20)11-14-23(24)29/h3-15,29H,1-2H3
log P (octanol-water)8.720
Melting Point186 dec ° C
Atmospheric OH Rate Constant2.01E-11 cm3/molecule-sec
Molecular weight303.83
EINECS219-567-2
Molecular weight120.38
InChI1S/CHCl3/c2-1(3)4/h1H/i1D
Molecular weight340.41
InChI1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3
Storage Temperature2-8°C
Water solubilitySoluble in 100% ethanol, dimethyl sulfoxide (100 mM), dimethyl formamide, chloroform, methanol, and ethanol (50 mM). Insoluble in water.
Melting Point40-44 °C
Refractive Index1.5735
BRN Number299026
Density1,17 g/cm3
Boiling Point210 °C / 1mmHg
SMILESC(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)=N.Cl
InChI1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H
Water solubilitySoluble in water or ethanol
StabilityStable. Incompatible with strong oxidizing agents.
Colour Index41000
Storage TemperatureStore at room temperature.
Melting Point>250 °C (dec.)
Atmospheric OH Rate Constant2.05E-10 cm3/molecule-sec
log P (octanol-water)2.980
Water solubility1.00E+04 mg/L
Henry's Law Constant3.64E-09 atm-m3/mole
Vapor Pressure1.29E-06 mm Hg
Molecular weight250.25
SMILESc1cc(ccc1Cc2ccc(cc2)N=C=O)N=C=O
InChI1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2
Flash Point196 °C
Boiling Point392 °C
Melting Point38-44 °C
BRN Number797662
Water solubilitydecomposes
StabilityStable. Combustible. Incompatible with strong oxidizing agents. Reacts violently with alcohols.
SensitiveMoisture Sensitive/Lachrymatory
Freezing Point37?
Storage TemperatureRefrigerator
Freezing Point37?
Vapor Pressure5.00E-06 mm Hg
Henry's Law Constant8.95E-07 atm-m3/mole
Melting Point38 ° C
log P (octanol-water)5.220
Water solubility0.829 mg/L
Atmospheric OH Rate Constant1.20E-11 cm3/molecule-sec
Freezing Point37?
Density1.19
ClassSpecialty Chemicals
FunctionAcid, Stabilizer
IndustryAdhesives, Rubber, Organics
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