CAS 65185-58-2 2-Bromophenethylamine (HCID 2734091)

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Basic information

CAS: 65185-58-2
Standard SMILES: NCCc1ccccc1Br
InChIKey: ITRNQMJXZUWZQL-UHFFFAOYSA-N
Molecular formula: C8H10BrN
Average molar mass: 200.08 g/mol
Monoisotopic mass: 198.99966142

Names & identifiers

Preferred name: 2-Bromophenethylamine
IUPAC: 2-(2-bromophenyl)ethanamine
English name: 2-Bromophenethylamine
Molecular formula: C8H10BrN
Molecular weight: 200.08

Names & synonyms

2-Bromophenethylamine65185-58-2DTXSID80370117RefChem:467289DTXCID70321153628-929-22-(2-bromophenyl)ethanamine2-bromophenylethylamine2-(2-bromophenyl)ethylamine2-(2-bromophenyl)ethan-1-amineMFCD01529874CHEMBL447753

Show more names

RARECHEM AL BW 02012-Bromophenethanamine2-bromophenylethyl amine2-BroMophenethylaMine 97%2-BroMo-benzeneethanaMine2-Bromophenethylamine,99%BENZENEETHANAMINE, 2-BROMO-1-Amino-(2-bromophenyl)ethane

2-(2-Bromophenyl)ethanamine; 2-(2-Bromophenyl)ethylamine; 2-Bromobenzeneethanamine; 2-Bromophenethylamine; o-Bromophenethylamine2-bromo phenethylamine2-bromo-phenethylamine2-bromophen-ethylamine2-bromophenethyl amine2-Bromophenethylamine, 97%2-(2-bromopheneyl)ethylamineSCHEMBL265615

Database identifiers

CAS: 65185-58-2
PubChem CID: 2734091
DTXSID: DTXSID80370117
ChEMBL: CHEMBL447753
EC Number: 628-929-2
Nikkaji: J1.611.924E

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 95.3

Physicochemical properties

Boiling point: 253 °C · 253 °C(lit.)
Density: 1.396 g/mL · 1.396 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5770(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Liquid
pka: 9.52 · 9.52±0.10(Predicted)
color: Clear colorless to slightly yellow
Sensitive: Air Sensitive
InChI: 1S/C8H10BrN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
InChIKey: ITRNQMJXZUWZQL-UHFFFAOYSA-N
SMILES: NCCc1ccccc1Br
CAS DataBase Reference: 65185 · 65185-58-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2735 8/PG 2
hs_code: 29214990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: Ⅱ
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Skin Corr. 1B