2-Amino-5-chlorobenzophenone

HCID 12870CAS 719-59-5
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIKey
ZUWXHHBROGLWNH-UHFFFAOYSA-N
Molecular formula
C13H10ClNO
Average molar mass
231.68 g/mol
Monoisotopic mass
231.04509162

Names & identifiers

Preferred name
2-Amino-5-chlorobenzophenone
IUPAC
(2-amino-5-chlorophenyl)-phenylmethanone
English name
2-Amino-5-chlorobenzophenone
Molecular formula
C13H10ClNO
Molecular weight
231.68

Names & synonyms

2-Amino-5-chlorobenzophenone719-59-52-Benzoyl-4-chloroaniline2-Amino-5-chlorobenzylphenoneMETHANONE, (2-AMINO-5-CHLOROPHENYL)PHENYL-5-Chloro-2-aminobenzophenoneBenzophenone, 2-amino-5-chloro-(2-Amino-5-chlorophenyl)phenylmethanoneDTXSID0052463FR80014ZBTNSC-84157OXAZEPAM BENZOPHENONE
Show more names
ACB2-Amino-5-chloroAlprazolam Impurity 44-CHLORO-2-BENZOYLANILINE2-Amino-5-chlorobenophenone2--5-NSC 84157IFLAB-BB F1386-0355TIMTEC-BB SBB003271
DTXCID7031036RefChem:852612-ACB211-949-7(2-amino-5-chlorophenyl)(phenyl)methanone2-Amino-5-chlorbenzophenone(2-amino-5-chlorophenyl)-phenylmethanoneMFCD00007839

Database identifiers

CAS
719-59-5
PubChem CID
12870
DTXSID
DTXSID0052463
ChEMBL
CHEMBL1417425
UNII
FR80014ZBT
EC Number
211-949-7
Nikkaji
J38.364C

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
43.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
16

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section150.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0052463]

Physicochemical properties

Melting point
96 · 96-98 °C (lit.)
Boiling point
207 °C · 207 °C
Density
1.33 · 1.33
vapor pressure
0 · 0-1Pa at 20-25℃
refractive index
1.6 · 1.6000 (estimate)
Flash point
211 °C · 211 °C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (92.5%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 67 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Methanone, (2-amino-5-chlorophenyl)phenyl-

Status: Active Update: 15-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27240

Methanone, (2-amino-5-chlorophenyl)phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (92.5%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
PC4933500
hs_code
29223900
Toxicity
LD50 orally in Rabbit: 10000 mg/kg

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationMethanone, (2-amino-5-chlorophenyl)phenyl-: ACTIVE
Applications · 3 items

UsesA metabolite of Diazepam; it had a much weaker anticonvulsant effect.

UsesIt is used in the heterocyclic syntheses based on the reactions of dimethyl acetylenedicarboxylate.

General Description2-Amino-5-chlorobenzophenone is a organic nonlinear optical material.

Upstream & downstream products

Suppliers50 total

湖北瑞凯兴科技股份有限公司0086-13795397680
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Related reactions

202 records
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Linked notes

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