Basic information
- CAS
68921-93-7- Standard SMILES
O=C(O)C(O)Cc1ccc(Cl)c(Cl)c1- InChIKey
QREPBOPOIRZWDG-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2O3
- Average molar mass
- 235.06 g/mol
- Monoisotopic mass
- 233.98504948
Names & identifiers
- Preferred name
- Benzenepropanoic acid, 3,4-dichloro-alpha-hydroxy-
- IUPAC
- 3-(3,4-dichlorophenyl)-2-hydroxypropanoic acid
- English name
- 3-(3,4-dichlorophenyl)lactic acid
- Molecular formula
- C9H8Cl2O3
- Molecular weight
- 235.06402
Names & synonyms
68921-93-73-(3,4-Dichlorophenyl)lactic acid3,4-Dichloro-beta-phenyllactic acidEINECS 272-970-5DTXSID60887576Benzenepropanoic acid, 3,4-dichloro-alpha-hydroxy-Benzenepropanoic acid, 3,4-dichloro-.alpha.-hydroxy-RefChem:563605DTXCID901026866272-970-53-(3,4-dichlorophenyl)-2-hydroxypropanoic acidSCHEMBL2164417
Show more names
3,4-Dichloro-α-hydroxybenzenepropanoic acid
QREPBOPOIRZWDG-UHFFFAOYSA-NMFCD00046525AKOS0152874113,4-Dichloro-.beta.-phenyllactic acidSY338951NS00061864EN300-1452113
Database identifiers
- CAS
68921-93-7- PubChem CID
- 111434
- DTXSID
DTXSID60887576- EC Number
- 272-970-5
- Nikkaji
- J332.725F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- EPA Substance Registry System
- 3 · 3,4-Dichloro-.beta.-phenyllactic acid (68921-93-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenepropanoic acid, 3,4-dichloro-.alpha.-hydroxy-: INACTIVE
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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