Basic information
- CAS
88275-87-0- Standard SMILES
COc1c(Br)cccc1C=O- InChIKey
SZDPZQAPHXPVCN-UHFFFAOYSA-N- Molecular formula
- C8H7BrO2
- Average molar mass
- 215.04 g/mol
- Monoisotopic mass
- 213.96294
Names & identifiers
- Preferred name
- 3-Bromo-2-methoxybenzaldehyde
- IUPAC
- 3-bromo-2-methoxybenzaldehyde
- English name
- 3-Bromo-2-methoxybenzaldehyde
- Molecular formula
- C8H7BrO2
- Molecular weight
- 215.04
Names & synonyms
3-BROMO-2-METHOXYBENZALDEHYDE88275-87-0DTXSID80453873RefChem:277335DTXCID70404692804-335-0MFCD098348113-bromo-2-methoxy-benzaldehyde2-bromo-6-formyl-anisoleSCHEMBL12933513-bromo-2-(methyloxy)benzaldehydeAKOS010078187
Show more names
Benzaldehyde, 3-bromo-2-methoxy-
3-(2-Fluorophenoxy)benzylBromideSCHEMBL8388083AM8326CS-W021855DS-0267SY104706DB-077222EN300-116574
Database identifiers
- CAS
88275-87-0- PubChem CID
- 11063808
- DTXSID
DTXSID80453873- EC Number
- 804-335-0
- Nikkaji
- J840.636G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 282.3 · 282.3±20.0 °C(Predicted)
- Density
- 1.522 · 1.522±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- solid
- Appearance
- Light brown to white Solid
- InChI
- 1S/C8H7BrO2/c1-11-8-6(5-10)3-2-4-7(8)9/h2-5H,1H3
- InChIKey
- SZDPZQAPHXPVCN-UHFFFAOYSA-N
- SMILES
- COC1=C(C=CC=C1C=O)Br
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P301+P312
- WGK Germany
- 3 · WGK 3
- HS Code
- 2913000090 · 2913000090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2913000090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P260-P280-P301+P312
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers79 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Related reactions
17 records
Compound notes
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