CAS 1022-13-5 2-(Methylamino)-5-chlorobenzophenone (HCID 13925)

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Basic information

CAS: 1022-13-5
Standard SMILES: CNc1ccc(Cl)cc1C(=O)c1ccccc1
InChIKey: WPNMLCMTDCANOZ-UHFFFAOYSA-N
Molecular formula: C14H12ClNO
Average molar mass: 245.7 g/mol
Monoisotopic mass: 245.0607417

Names & identifiers

Preferred name: 2-(Methylamino)-5-chlorobenzophenone
IUPAC: [5-chloro-2-(methylamino)phenyl]-phenylmethanone
English name: 5-Chloro-2-(methylamino)benzophenone
Molecular formula: C14H12ClNO
Molecular weight: 245.7

Names & synonyms

1022-13-52-Methylamino-5-chlorobenzophenoneMethanone, [5-chloro-2-(methylamino)phenyl]phenyl-(5-Chloro-2-(methylamino)phenyl)phenylmethanoneD4GD5770PIMethanone, (5-chloro-2-(methylamino)phenyl)phenyl-DTXSID40614162-(N-methylamino)-5-chlorobenzophenone[5-Chloro-2-(methylamino)phenyl]phenylmethanone2-(Methylamino)-5-chlorobenzophenoneRefChem:5346052-MACB

Show more names

Diazepam Impurity CDiazepam Impurity DRo 5-4365Diazepam Impurity AMethyl-aMino ketoneDiazepam Impurity 9Diazapam Impurity DTeMazepaM IMpurity ADiazepam benzophenoneDiazepam EP impurity D

DTXCID30327075-Chloro-2-(methylamino)benzophenone5-Chloro-2-methylaminobenzophenone(5-Chloro-2-(methylamino)phenyl)(phenyl)methanone[5-chloro-2-(methylamino)phenyl]-phenylmethanoneMFCD00008284BENZOPHENONE, 5-CHLORO-2-(METHYLAMINO)-2-benzoyl-4-chloro-N-methylaniline

Database identifiers

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 263

Physicochemical properties

Melting point: 93 · 93-95 °C (lit.)
Boiling point: 421.9 · 421.9±35.0 °C(Predicted)
Density: 1.234 · 1.234±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly), Methanol (Very Slightly)
pka: 1.45 · pKa 1.45±0.04(7% EtOH in H2O,t =25,0.02 to 0.40M in HCl) (Uncertain)
form: Solid
color: Light Yellow to Yellow
BRN: 882187 · 882187
Stability: Stable. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C14H12ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKey: WPNMLCMTDCANOZ-UHFFFAOYSA-N
SMILES: C(C1=CC(Cl)=CC=C1NC)(C1=CC=CC=C1)=O
CAS DataBase Reference: 1022 · 1022-13-5(CAS DataBase Reference)

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: DJ0414000
hs_code: 2933999552
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P305+P351+P338

Chemistry & industry

Applications

Uses5-Chloro-2-(methylamino)benzophenone was used in the simultaneous determination of hydrazine and benzylhydrazine in isocarboxazid raw material and tablet formulations by gas chromatography.

Uses5-Chloro-2-(methylamino)benzophenone is an impurity of 1,4- Temazepam (T017200) as well as a decompoition product of Diazepam and other 1,4-benzodiazepine derivatives.