CAS 2011-66-7 2-Amino-5-nitro-2'-chlorobenzophenone (HCID 74830)

Names & identifiers

Preferred name: 2-Amino-5-nitro-2'-chlorobenzophenone
IUPAC: (2-amino-5-nitrophenyl)-(2-chlorophenyl)methanone
English name: 2-Amino-2'-chloro-5-nitro benzophenone
Molecular formula: C13H9ClN2O3
Molecular weight: 276.68

Names & synonyms

2011-66-72-Amino-2'-chloro-5-nitrobenzophenone2-Amino-5-nitro-2'-chlorobenzophenoneRL4AJ2Z1GRDTXSID20173927RefChem:463299DTXCID7096418217-929-4(2-Amino-5-nitrophenyl)(2-chlorophenyl)methanone2-Amino-2'-chloro-5-nitro benzophenoneMETHANONE, (2-AMINO-5-NITROPHENYL)(2-CHLOROPHENYL)-chlorobenzophenone

Show more names

2-AMINO-5-NITRO-2-CHLOROBENZOPHENONE2-Amino-2-chLClonazepam USP RC BClonazepam Impurity 2oro-5-nitro benzophenoneClonazepam Impurity B(USP)Clonazepam, acid hydrolyzed-fluoro-5-bromobenzophenone-chloro-5-nitro benzophenone

(2-amino-5-nitrophenyl)-(2-chlorophenyl)methanone2-(2-chlorobenzoyl)-4-nitroaniline(2-Amino-5-nitro-phenyl)-(2-chloro-phenyl)-methanoneClonazepam EP Impurity A2-Amino-5-nitro-2'-MFCD007924532-Amino-5-nitro-2'-chlorbenzophenone2-amino-5-nitrophenyl 2-chlorophenyl ketone

Database identifiers

CAS: 2011-66-7
PubChem CID: 74830
DTXSID: DTXSID20173927
UNII: RL4AJ2Z1GR
EC Number: 217-929-4
Nikkaji: J133.148E

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 88.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 358

Experimental & physicochemical properties

Kovats Retention Index · 2 items

2470；2470；2470；2494；2516

2470

Physicochemical properties

Melting point: 119 · 119-121°C
Boiling point: 505.8 · 505.8±45.0 °C(Predicted)
Density: 1.428 · 1.428±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: -3.12 · -3.12±0.36(Predicted)
form: Powder
color: Pale yellow to yellow
Sensitive: Air Sensitive
BRN: 2814216 · 2814216
Major Application: pharmaceuticalpharmaceutical small molecule
InChI: InChI=1S/C13H9ClN2O3/c14-11-4-2-1-3-9(11)13(17)10-7-8(16(18)19)5-6-12(10)15/h1-7H,15H2
InChIKey: GRDGBWVSVMLKBV-UHFFFAOYSA-N
SMILES: C(C1=CC([N+]([O-])=O)=CC=C1N)(C1=CC=CC=C1Cl)=O
CAS DataBase Reference: 2011 · 2011-66-7(CAS DataBase Reference)
FDA UNII: 4 AJ2Z1GR · RL4AJ2Z1GR
NIST Chemistry Reference: Methanone, (2-amino-5-nitrophenyl)(2-chlorophenyl)-(2011-66-7)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Warning
Hazard statements: 315 · H315-H319-H341-H335-H340
Precautionary statements: 201 · P201-P202-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P308+P313-P405-P501-P261-P305+P351+P338-P501a
Hazard Codes: Xi
Risk Statements: 46 · 46-36/37/38
Safety Statements: 53 · 53-26-36/37-60
WGK Germany: 3 · WGK 3
Hazard Note: Irritant
HS Code: 29223990 · 29223990
Storage Class: 11 · 11 - Combustible Solids
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 40% (4 of 10) of reports.

Warning

H302 (30%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (10%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H341 (40%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]；H411 (20%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 4 of 10 reports by companies.；There are 4 notifications provided by 6 of 10 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Active Update: 23-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23415

Hazard Classes and CategoriesAcute Tox. 4 (30%)；Skin Irrit. 2 (40%)；Eye Irrit. 2A (40%)；STOT SE 3 (10%)；Muta. 2 (40%)

Regulatory information

Regulatory InformationStatus: Active Update: 23-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23415

Safety data

wgk: WGK 3
hs_code: 29223990
risk_code: 46-36/37/38
Signal word: Warning
Symbol(GHS): GHS07,GHS08
hazard_code: Xi
hazard_note: Irritant
safety_code: 53-26-36/37-60
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H341-H335-H340
REACH Registrations: Active
Precautionary statements: P201-P202-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P308+P313-P405-P501-P261-P305+P351+P338-P501a