Ethyl (1,1'-biphenyl)-4-carboxylate

HCID 238201
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Basic information

CAS
6301-56-0
Standard SMILES
CCOC(=O)c1ccc(-c2ccccc2)cc1
InChIKey
FFQZMOHAQYZTNR-UHFFFAOYSA-N
Molecular formula
C15H14O2
Average molar mass
226.27 g/mol
Monoisotopic mass
226.09937969

Names & identifiers

Preferred name
Ethyl (1,1'-biphenyl)-4-carboxylate
IUPAC
ethyl 4-phenylbenzoate
English name
Biphenyl-3-carboxylic acid ethyl ester
Molecular formula
C15H14O2
Molecular weight
226.27

Names & synonyms

6301-56-0ethyl [1,1'-biphenyl]-4-carboxylateDTXSID10978903Ethyl (1,1'-biphenyl)-4-carboxylateRefChem:1084646DTXCID901406208ethyl biphenyl-4-carboxylateethyl 4-phenylbenzoateBiphenyl-4-carboxylic acid ethyl ester[1,1'-biphenyl]-4-carboxylic acid, ethyl esterMFCD00297796ETHYL 4-BIPHENYLCARBOXYLATE
Show more names
Ethyl 4-benzoateETHYL 3-BIPHENYLCARBOXYLATEETHYL BIPHENYL-3-CARBOXYLATE3-Phenylbenzoic acid ethyl esterEthyl [1,1'-biphenyl]-3-carboxylate3-BIPHENYLCARBOXYLIC ACID ETHYL ESTERBiphenyl-3-carboxylic acid ethyl ester
NSC42478CBMicro_020264[1,1'-Biphenyl]-4-carboxylicacid, ethyl esterSCHEMBL570961AAA78579CCG-5033NSC-42478STK409483

Database identifiers

CAS
6301-56-0
PubChem CID
238201
DTXSID
DTXSID10978903
EC Number
671-704-9
Nikkaji
J354.721C

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
17

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point
88 · 88-90 °C
Boiling point
120 °C/0.14mm · 120°C/0.14mm
Density
1.082 · 1.082±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.
Store at room temperature
Appearance
White to off-white Solid
CAS DataBase Reference
6301 · 6301-56-0(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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)

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

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
Hazard statements
H319-H315-H335
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers33 total

南京凯美西化工有限公司02558748998 18951874644 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852

Related reactions

1 records
New reaction record

Compound notes

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