F 1893

HCID 160722

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Basic information

CAS: 3808-93-3
Standard SMILES: O=C(O)c1ccc(-c2ccccc2Cl)cc1
InChIKey: AOTYKBXXCYCXRZ-UHFFFAOYSA-N
Molecular formula: C13H9ClO2
Average molar mass: 232.66 g/mol
Monoisotopic mass: 232.0291072

Names & identifiers

Preferred name: F 1893
IUPAC: 4-(2-chlorophenyl)benzoic acid
English name: 2'-Chloro-biphenyl-4-carboxylic acid
Molecular formula: C13H9ClO2
Molecular weight: 232.66

Names & synonyms

3808-93-3F 1893F-1893DTXSID30191490RefChem:139816DTXCID401139814-(2-chlorophenyl)benzoic acid2'-Chloro-biphenyl-4-carboxylic acid2'-Chloro-[1,1'-biphenyl]-4-carboxylic acid2'-Chlorobiphenyl-4-carboxylic acid2'-chloro-4-biphenylcarboxylic acidMFCD03424594

Show more names

2′-Chloro-biphenyl-4-carboxylic acid, CAS 3808-93-3

4-Biphenyl-2'-chloro-carboxylic acid2'-chloro[1,1'-biphenyl]-4-carboxylic acid2'-Chloro-[1,1'-biphenyl]-4-carboxylicacid2'-Chloro-1,1'-biphenyl-4-carboxylic acid2'-chloro-(1,1'-biphenyl)-4-carboxylic acidAKOS BAR-0009SCHEMBL2034240RARECHEM AL BE 1241

Database identifiers

CAS: 3808-93-3
PubChem CID: 160722
DTXSID: DTXSID30191490
EC Number: 805-546-0
Nikkaji: J2.221.974J

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 246

Physicochemical properties

Melting point: 247 °C · 247 °C
Boiling point: 382.4 · 382.4±25.0 °C(Predicted)
Density: 1.298 · 1.298±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 4.07 · 4.07±0.10(Predicted)
CAS DataBase Reference: 3808 · 3808-93-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

Safety data

hs_code: 2916399090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501