CHLOROFORM-D
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Product Description
Product
CHLOROFORM-D
CAS
865-49-6
Formula
CDCl3
Synonym
(2H)chloroform; Deuterochloroform; Trichloromethane-d; Trichloromethane-d1
Typical Product Specifications
Molecular weight
380.44
EINECS
201-635-8
SMILES
c12c(\N=N\c3c(cc(\N=N\c4c(cccc4)C)cc3)C)c(ccc1cccc2)O
InChI
1S/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
InChIKey
RCTGMCJBQGBLKT-UHFFFAOYSA-N
log P (octanol-water)
8.720
Melting Point
186 dec ° C
Atmospheric OH Rate Constant
2.01E-11 cm3/molecule-sec
Molecular weight
303.83
EINECS
219-567-2
SMILES
C(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)=N.Cl
InChI
1S/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
InChIKey
KSCQDDRPFHTIRL-UHFFFAOYSA-N
Water solubility
Soluble in water or ethanol
Stability
Stable. Incompatible with strong oxidizing agents.
Colour Index
41000
Storage Temperature
Store at room temperature.
Melting Point
>250 °C (dec.)
Atmospheric OH Rate Constant
2.05E-10 cm3/molecule-sec
log P (octanol-water)
2.980
Water solubility
1.00E+04 mg/L
Henry's Law Constant
3.64E-09 atm-m3/mole
Vapor Pressure
1.29E-06 mm Hg
Molecular weight
250.25
SMILES
c1cc(ccc1Cc2ccc(cc2)N=C=O)N=C=O
InChI
1S/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
InChIKey
UPMLOUAZCHDJJD-UHFFFAOYSA-N
Flash Point
196 °C
Boiling Point
392 °C
Density
1.19
Melting Point
38-44 °C
BRN Number
797662
Water solubility
decomposes
Stability
Stable. Combustible. Incompatible with strong oxidizing agents. Reacts violently with alcohols.
Sensitive
Moisture Sensitive/Lachrymatory
Freezing Point
37?
Storage Temperature
Refrigerator
Freezing Point
37?
Vapor Pressure
5.00E-06 mm Hg
Henry's Law Constant
8.95E-07 atm-m3/mole
Melting Point
38 ° C
log P (octanol-water)
5.220
Water solubility
0.829 mg/L
Atmospheric OH Rate Constant
1.20E-11 cm3/molecule-sec
Freezing Point
37?
Molecular weight
120.38
InChI
1S/CHCl3/c2-1(3)4/h1H/i1D
InChIKey
HEDRZPFGACZZDS-MICDWDOJSA-N
Molecular weight
340.41
InChI
1S/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
InChIKey
LCFVJGUPQDGYKZ-UHFFFAOYSA-N
Storage Temperature
2-8°C
Water solubility
Soluble in 100% ethanol, dimethyl sulfoxide (100 mM), dimethyl formamide, chloroform, methanol, and ethanol (50 mM). Insoluble in water.
Melting Point
40-44 °C
Refractive Index
1.5735
BRN Number
299026
Boiling Point
210 °C / 1mmHg
Density
1,17 g/cm3
Class
Industry
Functions
CHLOROFORM-D
Product Description
Product
CHLOROFORM-D
CAS
865-49-6
Formula
CDCl3
Synonym
(2H)chloroform; Deuterochloroform; Trichloromethane-d; Trichloromethane-d1
Typical Product Specifications
Molecular weight
380.44
EINECS
201-635-8
SMILES
c12c(\N=N\c3c(cc(\N=N\c4c(cccc4)C)cc3)C)c(ccc1cccc2)O
InChI
1S/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
InChIKey
RCTGMCJBQGBLKT-UHFFFAOYSA-N
log P (octanol-water)
8.720
Melting Point
186 dec ° C
Atmospheric OH Rate Constant
2.01E-11 cm3/molecule-sec
Molecular weight
303.83
EINECS
219-567-2
SMILES
C(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)=N.Cl
InChI
1S/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
InChIKey
KSCQDDRPFHTIRL-UHFFFAOYSA-N
Water solubility
Soluble in water or ethanol
Stability
Stable. Incompatible with strong oxidizing agents.
Colour Index
41000
Storage Temperature
Store at room temperature.
Melting Point
>250 °C (dec.)
Atmospheric OH Rate Constant
2.05E-10 cm3/molecule-sec
log P (octanol-water)
2.980
Water solubility
1.00E+04 mg/L
Henry's Law Constant
3.64E-09 atm-m3/mole
Vapor Pressure
1.29E-06 mm Hg
Molecular weight
250.25
SMILES
c1cc(ccc1Cc2ccc(cc2)N=C=O)N=C=O
InChI
1S/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
InChIKey
UPMLOUAZCHDJJD-UHFFFAOYSA-N
Flash Point
196 °C
Boiling Point
392 °C
Density
1.19
Melting Point
38-44 °C
BRN Number
797662
Water solubility
decomposes
Stability
Stable. Combustible. Incompatible with strong oxidizing agents. Reacts violently with alcohols.
Sensitive
Moisture Sensitive/Lachrymatory
Freezing Point
37?
Storage Temperature
Refrigerator
Freezing Point
37?
Vapor Pressure
5.00E-06 mm Hg
Henry's Law Constant
8.95E-07 atm-m3/mole
Melting Point
38 ° C
log P (octanol-water)
5.220
Water solubility
0.829 mg/L
Atmospheric OH Rate Constant
1.20E-11 cm3/molecule-sec
Freezing Point
37?
Molecular weight
120.38
InChI
1S/CHCl3/c2-1(3)4/h1H/i1D
InChIKey
HEDRZPFGACZZDS-MICDWDOJSA-N
Molecular weight
340.41
InChI
1S/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
InChIKey
LCFVJGUPQDGYKZ-UHFFFAOYSA-N
Storage Temperature
2-8°C
Water solubility
Soluble in 100% ethanol, dimethyl sulfoxide (100 mM), dimethyl formamide, chloroform, methanol, and ethanol (50 mM). Insoluble in water.
Melting Point
40-44 °C
Refractive Index
1.5735
BRN Number
299026
Boiling Point
210 °C / 1mmHg
Density
1,17 g/cm3
Class
Industry
Functions
