(4-Bromophenyl)(cyclopropyl)methanamine
Basic information
- CAS
90868-92-1- Standard SMILES
NC(c1ccc(Br)cc1)C1CC1- InChIKey
CFTNYXDVHSKCKL-UHFFFAOYSA-N- Molecular formula
- C10H12BrN
- Average molar mass
- 226.11 g/mol
- Monoisotopic mass
- 225.01531
Names & identifiers
- Preferred name
- (4-Bromophenyl)(cyclopropyl)methanamine
- IUPAC
- (4-bromophenyl)-cyclopropylmethanamine
- English name
- OTAVA-BB 1129464
- Molecular formula
- C10H12BrN
- Molecular weight
- 226.116
Names & synonyms
(4-Bromophenyl)(cyclopropyl)methanamine90868-92-1MFCD05192037a-Cyclopropyl-4-bromo-benzylamine(4-bromophenyl)-cyclopropylmethanamine1-(4-BROMOPHENYL)-1-CYCLOPROPYLMETHANAMINEalpha-Cyclopropyl-4-bromo-benzylamineSCHEMBL987778DTXSID10398167CFTNYXDVHSKCKL-UHFFFAOYSA-NOTAVA-BB 1129464QDA86892
Show more names
4-Bromo-α-cyclopropylbenzenemethanamineBenzenemethanamine, 4-bromo-α-cyclopropyl-1-CYCLOPROPYL-1-(4-BROMOPHENYL)METHYLAMINE
AKOS009155964SB76886AS-64005SY269395DB-3621391-(4-bromophenyl)-1-cyclopropylmethane amineBenzenemethanamine, 4-bromo-alpha-cyclopropyl-N10452
Database identifiers
- CAS
90868-92-1- PubChem CID
- 3948276
- DTXSID
DTXSID10398167- EC Number
- 162-218-3
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 305.7 · 305.7±17.0 °C(Predicted)
- Density
- 1.486 · 1.486±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 9.09 · 9.09±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2921490090 · 2921490090
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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