Basic information
- CAS
79636-94-5- Standard SMILES
CCOc1ccc(Br)cc1C=O- InChIKey
NFCBVQSSJAXEJD-UHFFFAOYSA-N- Molecular formula
- C9H9BrO2
- Average molar mass
- 229.07 g/mol
- Monoisotopic mass
- 227.97859163
Names & identifiers
- Preferred name
- 5-Bromo-2-ethoxybenzaldehyde
- IUPAC
- 5-bromo-2-ethoxybenzaldehyde
- English name
- 5-BROMO-2-ETHOXYBENZALDEHYDE
- Molecular formula
- C9H9BrO2
- Molecular weight
- 229.07
Names & synonyms
5-Bromo-2-ethoxybenzaldehyde79636-94-5MFCD00016600ASISCHEM R27959AURORA 10667AKOS B005861AKOS BBS-00008217NSC1573415-bromo-2-ethoxy-benzaldehydeZERENEX ZX0098225-bromo-2-ethoxy benzaldehydeTIMTEC-BB SBB020097
Show more names
ST5201103ZINC00148568Benzaldehyde, 5-bromo-2-ethoxy-
ATTERCOP-CHM AT111083ART-CHEM-BB B005861AKOS A1230-6011AS03794OTAVA-BB 7014713409Cambridge id 7211992SCHEMBL155442515752_ALDRICH
Database identifiers
- CAS
79636-94-5- PubChem CID
- 144901
- DTXSID
DTXSID20229817- Nikkaji
- J410.681D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 68 · 68-71 °C(lit.)
- Boiling point
- 302.7 · 302.7±22.0 °C(Predicted)
- Density
- 1.451 · 1.451±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- Light brown to brown Solid
- Sensitive
- Air Sensitive
- BRN
- 3244183 · 3244183
- CAS DataBase Reference
- 79636 · 79636-94-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- Hazard Codes
- Xn,Xi
- Risk Statements
- 36 · 36/37/38-22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 38220090
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 37/39-26-24/25
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Suppliers46 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
杭州东帆化学有限公司86-0571-85151182
Related reactions
22 records
Compound notes
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