CAS 1137-41-3 4-Aminobenzophenone (HCID 14346)

Names & identifiers

Preferred name: 4-Aminobenzophenone
IUPAC: (4-aminophenyl)-phenylmethanone
English name: 4-Aminobenzophenone
Molecular formula: C13H11NO
Molecular weight: 197.23

Names & synonyms

4-Aminobenzophenone1137-41-3Methanone, (4-aminophenyl)phenyl-p-AminobenzophenoneBenzophenone, 4-amino-p-BenzoylanilineUSAF A-233NSC 76659VH7LQN5JEEINECS 214-506-6BRN 0389292AI3-03267

Show more names

PABusafa-2334-aminobenzopenoneTIMTEC-BB SBB003574AMINOBENZOPHENONE-4

NSC-7665DTXSID80615574-14-00-00248 (Beilstein Handbook Reference)RefChem:518192DTXCID0033332214-506-6(4-aminophenyl)(phenyl)methanone4-BENZOYLANILINE

Database identifiers

CAS: 1137-41-3
PubChem CID: 14346
DTXSID: DTXSID8061557
ChEMBL: CHEMBL314211
UNII: 9VH7LQN5JE
EC Number: 214-506-6
Nikkaji: J43.314D

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 213

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 121 · 121-124 °C (lit.)
Boiling point: 246 °C · 246 °C (12.7517 mmHg)
Density: 1.0957 · 1.0957 (rough estimate)
refractive index: 1.605 · 1.6050 (estimate)
Flash point: 245 · 245-247°C/22mm
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: Fine Crystalline Powder
pka: 1 · pK1: 2.15(+1) (25°C)
color: Yellow
Water Solubility: Soluble in cold water, alcohol and ether.
BRN: 389292 · 389292
InChI: InChI=1S/C13H11NO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,14H2
InChIKey: RBKHNGHPZZZJCI-UHFFFAOYSA-N
SMILES: C(C1=CC=C(N)C=C1)(C1=CC=CC=C1)=O
CAS DataBase Reference: 1137 · 1137-41-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 9 VH7LQN5JE · 9VH7LQN5JE
EPA Substance Registry System: Methanone, (4-aminophenyl)phenyl- (1137-41-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
RTECS: 175000 · DJ0175000
F: 8 · 8-10-23
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29223990 · 29223990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (91.3%)

Safety data

F: 8-10-23
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: DJ0175000
hs_code: 29223990
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationMethanone, (4-aminophenyl)phenyl-: ACTIVE

Applications · 2 items

Uses4-Aminobenzophenone is associated with 4-benzoylpyridine and it is used as a frequency doubler for semiconductor lasers. It is used in the preparation of 1-[4-[N,N-bis(trimethylsilyl)amino]phenyl]-1-phenylethylene. It is used as a precursor to prepare 1,2,3-triazoles, pyrimidotriazoles, benzothiazole and pyrimidinone derivatives. It is involved in the formation of coordination complexes with chromium(III).

General Description4-Aminobenzophenone (4-ABP) is the best derivative of benzophenone with 260 times higher second harmonic generation (SHG) efficiency than potassium dihydrogen phosphate (KDP), growth of high quality bulk crystal still remains a difficult task.