Benzene, (3-bromopropoxy)- (HCID 68522)

Names & identifiers

Preferred name: Benzene, (3-bromopropoxy)-
IUPAC: 3-bromopropoxybenzene
English name: 3-Phenoxypropyl bromide
Molecular formula: C9H11BrO
Molecular weight: 215.09

Names & synonyms

(3-Bromopropoxy)benzene588-63-63-Phenoxypropyl bromide3-Bromopropyl phenyl etherBenzene, (3-bromopropoxy)-1-Bromo-3-phenoxypropaneEther, 3-bromopropyl phenylgamma-Phenoxypropyl bromideNSC 2641EINECS 209-623-4AI3-11213DTXSID1060425

Show more names

1-Bromo3-Phenoxypropyl3-Phenoxypropyl brom3-PHENOXYBROMOPROPANE1-bromopropoxybenzene3-Phenoxyethylbromide(3-bromopropoxy)-benzen2-phenoxypropyi bromide3-BROMOISOPROPOXYBENZENE

RefChem:562117DTXCID3042479209-623-43-bromopropoxybenzeneMFCD000002563-bromo-1-phenoxypropanephenoxypropyl bromide3-Phenoxylpropyl Bromide

Database identifiers

CAS: 588-63-6
PubChem CID: 68522
DTXSID: DTXSID1060425
UNII: E6NVH6VQ3D
EC Number: 209-623-4
Nikkaji: J4.354K

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 89.6

Physicochemical properties

Melting point: 10 · 10-11 °C (lit.)
Boiling point: 130 · 130-134 °C/14 mmHg (lit.)
Density: 1.365 g/mL · 1.365 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.546(lit.)
Flash point: 228 °F · 228 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform, DMSO (Slightly), Methanol (Slightly)
form: Liquid
Specific Gravity: 1.365 · 1.365
color: Clear slightly brown
BRN: 508978 · 508978
InChI: 1S/C9H11BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey: NIDWUZTTXGJFNN-UHFFFAOYSA-N
SMILES: BrCCCOc1ccccc1
LogP: 3.29 · 3.290 (est)
CAS DataBase Reference: 588 · 588-63-6(CAS DataBase Reference)
NIST Chemistry Reference: Benzene, (3-bromopropoxy)-(588-63-6)
EPA Substance Registry System: Benzene, (3-bromopropoxy)- (588-63-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
PPE: Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-24/25
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29093090 · 29093090
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 5% (1 of 20) of reports.

Warning

H315 (95%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 20 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Peroxide Forming Chemical · 3 items

3-Bromopropyl phenyl ether

D: Other compounds that may form peroxides

Kelly

Hazard Classes and CategoriesSkin Irrit. 2 (95%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29093090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319
Precautionary statements: P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, (3-bromopropoxy)-: INACTIVE

Applications

Uses3-Phenoxypropyl Bromide is a reagent used in the synthesis of damidines in the study of myotonic dystrophy. Also used in thepreparation pf phenoxyalkylbenzimidazoles with antitubercular activity.