Basic information
- CAS
93012-30-7- Standard SMILES
O=C(O)Cc1ccccc1-c1ccccc1CC(=O)O- InChIKey
IXBKIGKDLZRRAL-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920892
Names & identifiers
- Preferred name
- 2,2'-Biphenyldiacetic acid
- IUPAC
- 2-[2-[2-(carboxymethyl)phenyl]phenyl]acetic acid
- English name
- Biphenyl-2,2'-diacetonitrile
- Molecular formula
- C16H14O4
- Molecular weight
- 270.28
Names & synonyms
2,2'-Biphenyldiacetic acidRefChem:440213668-647-793012-30-72-[2-[2-(carboxymethyl)phenyl]phenyl]acetic acid2,2'-([1,1'-Biphenyl]-2,2'-diyl)diacetic acid2-[2'-(carboxymethyl)-[1,1'-biphenyl]-2-yl]acetic acidNSC116230SCHEMBL7827157DTXSID30918780AKOS024337243NSC-116230
Show more names
Biphenyl-2,2'-diacetonitrile[1,1'-Biphenyl]-2,2'-diacetic acid
Database identifiers
- CAS
93012-30-7- PubChem CID
- 419552
- DTXSID
DTXSID30918780- EC Number
- 668-647-7
- Nikkaji
- J2.197.735G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 78 · 78-79°C
- CAS DataBase Reference
- 93012 · 93012-30-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H302
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H400-H302
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers9 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
安庆东禾生物技术有限公司15056029383 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…