Basic information
- CAS
76008-73-6- Standard SMILES
CCOC(=O)c1cc(Br)ccc1Cl- InChIKey
AMGWDYLEMSMUIO-UHFFFAOYSA-N- Molecular formula
- C9H8BrClO2
- Average molar mass
- 263.51 g/mol
- Monoisotopic mass
- 261.93961928
Names & identifiers
- Preferred name
- Ethyl 5-bromo-2-chlorobenzoate
- IUPAC
- ethyl 5-bromo-2-chlorobenzoate
- English name
- ETHYL 5-BROMO-2-CHLOROBENZOATE
- Molecular formula
- C9H8BrClO2
- Molecular weight
- 263.52
Names & synonyms
Ethyl 5-bromo-2-chlorobenzoate76008-73-6Benzoic acid, 5-bromo-2-chloro-, ethyl esterDTXSID90226919RefChem:138812DTXCID70149410616-279-2AMGWDYLEMSMUIO-UHFFFAOYSA-N5-Bromo-2-chlorobenzoic Acid Ethyl EsterMFCD00013635AKOS007930047Ethyl 5-Bromo-2-chlorobenzoate, 98%
Show more names
LABOTEST-BB LT01148052Ethyl 5-bromo2-chlorobenzaldehydeEthyl 5-Bromo-2-chlorobenzoate >Ethyl 5-bromo-2-chlorobenzoate,97%Ethyl 5-bromo-2-chlorobenzoate, 98+%5-broMo-2-chloro-3-ethylbenzaldehyde2-chloro-5-broMobenzoic acid ethyl ester
SY012257B2255N10376Ethyl 5-broMo2-chlorobenzoateFT-0620079FT-0648050SCHEMBL320371Ethyl-5-bromo-2-chlorobenzoate
Database identifiers
- CAS
76008-73-6- PubChem CID
- 144749
- DTXSID
DTXSID90226919- EC Number
- 616-279-2
- Nikkaji
- J410.678D
Properties
Computed structural properties
- XLogP
- 3.8
- 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
- 186
Physicochemical properties
- Melting point
- 128 · 128-130 °C
- Boiling point
- 288 °C · 288 °C (lit.)
- Density
- 1.55 g/mL · 1.55 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.56(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid
- color
- Clear light yellow
- BRN
- 6501991 · 6501991
- InChI
- 1S/C9H8BrClO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3
- InChIKey
- AMGWDYLEMSMUIO-UHFFFAOYSA-N
- SMILES
- CCOC(=O)c1cc(Br)ccc1Cl
- CAS DataBase Reference
- 76008 · 76008-73-6(CAS DataBase Reference)
- EPA Substance Registry System
- 5 · Benzoic acid, 5-bromo-2-chloro-, ethyl ester (76008-73-6)
- UNSPSC Code
- 12352100 · 12352100
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.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29163100
- risk_code
- 20/22-22-20
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 45-36/37/39-37/38/46-36
- Storage Class
- 12 - Non Combustible Liquids
- Hazard statements
- H302+H332
- Precautionary statements
- P261-P264b-P270-P271-P304+P340-P312-P330-P403-P501c
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 5-bromo-2-chloro-, ethyl ester: ACTIVE
Applications
UsesEthyl 5-Bromo-2-chlorobenzoate may be used in the synthesis of ethyl 6-bromo-3-chloro-3′-methylbiphenyl-2-carboxylate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers95 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd
Related reactions
11 records
Compound notes
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