Basic information
- CAS
6575-18-4- Standard SMILES
N#Cc1c(Cl)cc(N)cc1Cl- InChIKey
UHBYXDGSKJEABP-UHFFFAOYSA-N- Molecular formula
- C7H4Cl2N2
- Average molar mass
- 187.02 g/mol
- Monoisotopic mass
- 185.97515349
Names & identifiers
- Preferred name
- 4-Amino-2,6-dichlorobenzonitrile
- IUPAC
- 4-amino-2,6-dichlorobenzonitrile
- English name
- Benzonitrile, 4-amino-2,6-dichloro-
- Molecular formula
- C7H4Cl2N2
- Molecular weight
- 187.03
Names & synonyms
4-amino-2,6-dichlorobenzonitrile6575-18-4Benzonitrile, 4-amino-2,6-dichloro-SCHEMBL1810815UHBYXDGSKJEABP-UHFFFAOYSA-NDTXSID6012943854-amino-2,6-dichloro-benzonitrileDB-138196G74235F787169
Database identifiers
- CAS
6575-18-4- PubChem CID
- 59635989
- DTXSID
DTXSID601294385- Nikkaji
- J3.504.633J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 387.3 · 387.3±42.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- -0.39 · -0.39±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
4 records
Compound notes
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