Basic information
- CAS
91085-56-2- Standard SMILES
CCOC(=O)c1cc(Cl)cc(Cl)c1- InChIKey
JRLNLVFPSMDPLU-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2O2
- Average molar mass
- 219.06 g/mol
- Monoisotopic mass
- 217.9901349
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-dichloro-, ethyl ester
- IUPAC
- ethyl 3,5-dichlorobenzoate
- English name
- Ethyl 3,5-dichlorobenzoate
- Molecular formula
- C9H8Cl2O2
- Molecular weight
- 219.06
Names & synonyms
91085-56-2Benzoic acid, 3,5-dichloro-, ethyl esterRefChem:565728ethyl 3,5-dichlorobenzoate3,5-dichlorobenzoic acid ethyl esterMFCD00221467ethyl3,5-dichlorobenzoate3,5-Dichloro-benzoic acid ethyl esterSCHEMBL1815817SCHEMBL2662880DTXSID50371338AC2308
Show more names
RARECHEM AL BI 0057Ethyl3,5-dichlorobenzoate97%Ethyl 3,5-dichlorobenzoate 97%Ethyl 3,5-Dichlorobenzoate,>98%3,4-Dichlorobenzoic acid ethyl ester3,5-Dichlorobenzoic acid ethyl etster5-(Ethoxycarbonyl)-1,3-dichlorobenzene
SBB095707AKOS008947838PS-7891SY047602DB-031963CS-0151780F241679
Database identifiers
- CAS
91085-56-2- PubChem CID
- 2736404
- DTXSID
DTXSID50371338- Nikkaji
- J2.704.590A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 34 · 34-36 °C
- Boiling point
- 76 · 76-78/0.3mm
- Density
- 1.305 · 1.305±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- crystalline solid
- color
- Off-white
- EPA Substance Registry System
- 3 · Benzoic acid, 3,5-dichloro-, ethyl ester (91085-56-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Safety Statements
- 23 · 23-24/25
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 23-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 3,5-dichloro-, ethyl ester: ACTIVE
Suppliers61 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Jinan Liheng Biotechnology Co., Ltd.15865262812 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州安轩化工有限公司
Related reactions
1 records
Compound notes
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