Basic information
- CAS
2905-54-6- Standard SMILES
COC(=O)c1cccc(Cl)c1Cl- InChIKey
RFVULUSGHFRDHJ-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O2
- Average molar mass
- 205.03 g/mol
- Monoisotopic mass
- 203.9744848
Names & identifiers
- Preferred name
- Benzoic acid, 2,3-dichloro-, methyl ester
- IUPAC
- methyl 2,3-dichlorobenzoate
- English name
- Methyl 2,3-dichlorobenzoate
- Molecular formula
- C8H6Cl2O2
- Molecular weight
- 205.04
Names & synonyms
Methyl 2,3-dichlorobenzoate2905-54-6Benzoic acid, 2,3-dichloro-, methyl esterDTXSID4062696RefChem:118292DTXCID3037915608-309-8RFVULUSGHFRDHJ-UHFFFAOYSA-NMFCD000610992,3-Dichlorobenzoic acid methyl estermethyl-2,3-dichlorobenzoateSCHEMBL993113
Show more names
RARECHEM AL BF 02052,3-dichloromethyl benzoate2,3-Dichlorobenzoic methylesterMethyl 2,3-dichlorobenzoate,97%Methyl 2,3-dichlorobenzoate,98+%2,3-dichloro-benzoicacimethylesterMethyl 2,3-dichlorobenzoate , 2,3-Dichlorobenzoic acid methyl ester
SCHEMBL3542233SCHEMBL5622548STK428925AKOS003302031DS-4347FM71283s12122DA-07294
Database identifiers
- CAS
2905-54-6- PubChem CID
- 76189
- DTXSID
DTXSID4062696- EC Number
- 608-309-8
- Nikkaji
- J144.054C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 33 · 33-38 °C
- Boiling point
- 294.45 °C · 294.45°C (rough estimate)
- Density
- 1.36 · 1.36
- refractive index
- 1.5537 · 1.5537
- Flash point
- 110 °C · 110 °C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- EPA Substance Registry System
- 2 · Benzoic acid, 2,3-dichloro-, methyl ester (2905-54-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
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
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.
Safety data
- tsca
- TSCA listed
- hs_code
- 29163900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2,3-dichloro-, methyl ester: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers73 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
长春三邦医药科技有限公司0431-81884431 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
3 records
Compound notes
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