Benzenemethanamine, 3-bromo-
Basic information
- CAS
10269-01-9- Standard SMILES
NCc1cccc(Br)c1- InChIKey
SUYJXERPRICYRX-UHFFFAOYSA-N- Molecular formula
- C7H8BrN
- Average molar mass
- 186.05 g/mol
- Monoisotopic mass
- 184.98401
Names & identifiers
- Preferred name
- Benzenemethanamine, 3-bromo-
- IUPAC
- (3-bromophenyl)methanamine
- English name
- 3-Bromobenzylamine
- Molecular formula
- C7H8BrN
- Molecular weight
- 186.05
Names & synonyms
3-Bromobenzylamine10269-01-9Benzenemethanamine, 3-bromo-DTXSID70145457RefChem:563268DTXCID3067948679-024-4(3-bromophenyl)methanamine1-(3-BROMOPHENYL)METHANAMINEMFCD010261193-bromobenzyl amineM-BROMOBENZYLAMINE
Show more names
TIMTEC-BB SBB005796RARECHEM AL BW 00183-Bromobenzylamine >3-Bromobenzylamine 98%3-Bromobenzylamine,99%3-Bromobenzylamine, 97%3-Bromobenzenemethanamine
EN300-601574JH3-Bromo-benzylaminebenzylamine, 3-bromo-3-bromophenylmethylamine3-aminomethylbromobenzene(3-bromophenyl)methyl-amineSCHEMBL42450
Database identifiers
- CAS
10269-01-9- PubChem CID
- 457587
- DTXSID
DTXSID70145457- ChEMBL
CHEMBL139288- EC Number
- 679-024-4
- Nikkaji
- J358.834C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Boiling point
- 245 °C · 245°C(lit.)
- Density
- 1.48 g/ml · 1.48g/ml
- refractive index
- 1.584 · 1.584-1.586
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- Liquid
- pka
- 8.77 · 8.77±0.10(Predicted)
- color
- Clear colorless to yellow
- Water Solubility
- Slightly soluble in water.
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C7H8BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
- InChIKey
- SUYJXERPRICYRX-UHFFFAOYSA-N
- SMILES
- C1(CN)=CC=CC(Br)=C1
- CAS DataBase Reference
- 10269 · 10269-01-9(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a
- Hazard Codes
- C
- Risk Statements
- 34 · 34-21/22
- Safety Statements
- 45 · 45-36/37/39-26
- RIDADR
- 2735 · UN2735
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29214900 · 29214900
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Safety data
- ridadr
- UN2735
- hs_code
- 29214900
- risk_code
- 34-21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 45-36/37/39-26
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H318-H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a
Chemistry & industry
Applications
Uses3-Bromobenzylamine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agro chemicals, dyestuff.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
61 records
Compound notes
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