Basic information
- CAS
34158-72-0- Standard SMILES
ON=Cc1ccccc1Br- InChIKey
PSIRFUPZHPEKAE-UHFFFAOYSA-N- Molecular formula
- C7H6BrNO
- Average molar mass
- 200.03 g/mol
- Monoisotopic mass
- 198.96328
Names & identifiers
- Preferred name
- 2-Bromobenzaldehyde oxime
- IUPAC
- N-[(2-bromophenyl)methylidene]hydroxylamine
- English name
- 2-Bromobenzaldehyde oxime
- Molecular formula
- C7H6BrNO
- Molecular weight
- 200.03
Names & synonyms
2-bromobenzaldehyde oximeN-[(2-bromophenyl)methylidene]hydroxylamineBenzaldehyde, 2-bromo-, oximeSCHEMBL2649564SCHEMBL29187507SCHEMBL31322963PSIRFUPZHPEKAE-UHFFFAOYSA-NDTXSID801307554CCA70751AKOS030229360DB-020705NS00126758
Show more names
2-BROMOBENZALDOXIME2-Bromobenzaldoxime96%2-Bromobenzaldoxime 96%2-Bromobenzaldoxime >2-Bromobenzaldehyde oxime2-Bromobenzaldehydeoxime,95%(E)-2-bromobenzaldehyde oxime2-bromo-Benzaldehyde oxime (9CI ACI)Benzaldehyde, 2-bromo-, oxime (9CI, ACI)
ZINC00156341, CID5399039, 34158-72-0
Database identifiers
- CAS
34158-72-0- PubChem CID
- 736214
- DTXSID
DTXSID801307554
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 102 · 102-104°C
- Boiling point
- 265.6 · 265.6±23.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 10.43 · 10.43±0.10(Predicted)
- color
- White to Almost white
- BRN
- 471599 · 471599
- CAS DataBase Reference
- 34158 · 34158-72-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38
Safety & regulation
Safety data
- hs_code
- 2928009090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Suppliers49 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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]
广东方信生物科技有限公司0751-2838688 13376594225 · [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]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Related reactions
1 records
Compound notes
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