1-Bromo-4-phenylbutane (HCID 259668)

Names & identifiers

Preferred name: 1-Bromo-4-phenylbutane
IUPAC: 4-bromobutylbenzene
English name: 1-Bromo-4-phenylbutane
Molecular formula: C10H13Br
Molecular weight: 213.11

Names & synonyms

1-Bromo-4-phenylbutane13633-25-5(4-Bromobutyl)benzene4-Phenylbutyl bromideBenzene, (4-bromobutyl)-4-Phenyl-1-bromobutaneDTXSID10293481RefChem:75139DTXCID20244621671-058-8XPBQQAHIVODAIC-UHFFFAOYSA-N4-bromobutylbenzene

Show more names

1-BROMO-4-PHE1-Bromo-4-phenyLRARECHEM AH CK 00444-Bromo-1-phenyl butaneBenzene,(4-bromobutyl)-1-Phenyl-4-broMo-butane4-PhenylbutylBromide>

MFCD001549881-Bromo-4-phenyl-butane4-phenyl 1-butyl bromideBenzene, (bromobutyl)-4-phenylbutylbromideNSC898164-bromo-butylbenzene4-phenyl-butylbromide

Database identifiers

CAS: 13633-25-5
PubChem CID: 259668
DTXSID: DTXSID10293481
EC Number: 671-058-8
Nikkaji: J122.284H

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 84.9

Physicochemical properties

Melting point: 52 °C · 52 °C
Boiling point: 131 · 131-133°C/12mm
Density: 1.214 · 1.214
refractive index: 1.538 · 1.5380-1.5420
Flash point: 131 · 131-133°C/12mm
storage temp.: Inert atmosphere,Room Temperature
form: clear liquid
color: Colorless to Light yellow to Light orange
Water Solubility: Slightly soluble in water.
BRN: 2042124 · 2042124
InChI: 1S/C10H13Br/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKey: XPBQQAHIVODAIC-UHFFFAOYSA-N
SMILES: BrCCCCc1ccccc1
CAS DataBase Reference: 13633 · 13633-25-5(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-53-36/38-21/22
Safety Statements: 26 · 26-36-36/37
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29039990 · 29039990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

Safety data

wgk: 3
hs_code: 29039990
risk_code: 36/37/38-53-36/38-21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36-36/37
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses1-Bromo-4-phenylbutane is used as pharmaceutical intermediate.

Upstream & downstream products

Upstream raw materials

2-(4-Bromobutyl)-1 3 2-benzodioxaborole&4-(Imidazol-1-yl)phenol 4-Phenylbutanol 5-Phenylvaleric acid Triphenylphosphine dibromide (2-Bromoethyl)benzene Carbon tetrabromide 1,4-Dibromobutane Benzene Benzenediazonium,tetrafluoroborate 4-Phenylbutyric acid Bromobenzene

Downstream products

1,4-Diphenylbutane

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

109 records

New reaction record

HRID 28197As reactantuspto-grants-1980_09

HRID 52607As reactantuspto-grants-1997_04

HRID 59706As reactantuspto-grants-2016_09

HRID 146119As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 151410As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 180863As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 195308As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 219468As reactantuspto-grants-2012_06

Linked notes

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Basic information