3-(3-Bromopropoxy)benzonitrile
Basic information
- CAS
37136-97-3- Standard SMILES
N#Cc1cccc(OCCCBr)c1- InChIKey
NHGUNSYBMXCWLV-UHFFFAOYSA-N- Molecular formula
- C10H10BrNO
- Average molar mass
- 240.1 g/mol
- Monoisotopic mass
- 238.99458
Names & identifiers
- Preferred name
- 3-(3-Bromopropoxy)benzonitrile
- IUPAC
- 3-(3-bromopropoxy)benzonitrile
- English name
- 3-(3-Bromopropoxy)benzonitrile
- Molecular formula
- C10H10BrNO
- Molecular weight
- 240.1
Names & synonyms
3-(3-bromopropoxy)benzonitrile37136-97-3SCHEMBL53143683-(3'-Bromopropoxy)benzonitrileNHGUNSYBMXCWLV-UHFFFAOYSA-NMBA13697EN300-109668G42284
Database identifiers
- CAS
37136-97-3- PubChem CID
- 10243350
- EC Number
- 175-468-3
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
2 records
Compound notes
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