Chlorodiazepam

C₁₆H₁₂Cl₂N₂OCAS 2894-68-0319.19 g/mol

Open in Covalent MOL file

Amide Aryl halide Imine Lactam

Properties

Molecular formula: C₁₆H₁₂Cl₂N₂O
Molar mass: 319.19 g/mol
Exact mass: 318.0327 Da
Melting point: 168–171 °C
logP: 3.81Crippen estimate
Polar surface area: 32.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301+H311 Toxic if swallowed or in contact with skin100% of notifiers
H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P262, P264, P270, P273, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P391, P405, P501

Identifiers

CAS number

2894-68-0

SMILES

CN1C(=O)CN=C(c2ccccc2Cl)c2cc(Cl)ccc21

InChIKey

VPAYQWRBBOGGPY-UHFFFAOYSA-N

InChI

InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1-methyl-
2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(o-chlorophenyl)-1,3-dihydro-1-methyl-
7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one
Ro 5-3448
2′-Chlorodiazepam
Diclazepam

Work with Chlorodiazepam

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diazepam439-14-577 % similar Flurazepam hydrochloride1172-18-550 % similar Nimetazepam2011-67-850 % similar Delorazepam2894-67-950 % similar Temazepam846-50-447 % similar Clobazam22316-47-847 % similar Triazolam28911-01-544 % similar Quazepam36735-22-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook