Basic information
- CAS
22433-89-2- Standard SMILES
N#Cc1ccc(Br)c(C#N)c1- InChIKey
WQMGDEDMARMXQE-UHFFFAOYSA-N- Molecular formula
- C8H3BrN2
- Average molar mass
- 207.03 g/mol
- Monoisotopic mass
- 205.94796
Names & identifiers
- Preferred name
- 1,3-Benzenedicarbonitrile, 4-bromo-
- IUPAC
- 4-bromobenzene-1,3-dicarbonitrile
- English name
- 4-Bromo-1,3-benzenedicarbonitrile
- Molecular formula
- C8H3BrN2
- Molecular weight
- 207.03
Names & synonyms
4-Bromoisophthalonitrile4-Bromo-1,3-benzenedicarbonitrile1,3-Benzenedicarbonitrile, 4-bromo-BRN 2575701Isophothalonitrile, 4-bromo-DTXSID00176976RefChem:217733DTXCID8099467Isophothalonitrile, 4-bromo-(8CI)22433-89-24-bromobenzene-1,3-dicarbonitrileMFCD00234370
Show more names
4-Bromo-1,3-benzenediarbonitrile
SCHEMBL3836763CHEMBL3248165SCHEMBL31235647CL9300GEO-04143SBB093787AKOS022190184CS-W023081
Database identifiers
- CAS
22433-89-2- PubChem CID
- 211151
- DTXSID
DTXSID00176976- ChEMBL
CHEMBL3248165- Nikkaji
- J54.874J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2926907090 · 2926907090
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
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Bromo-1,3-benzenediarbonitrile is a useful reactant for the preparation of di(arylthienyl)thiazolothiazole.
Upstream & downstream products
Upstream raw materials
Suppliers60 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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