1-(3-Bromopropoxy)-4-fluorobenzene

HCID 260004

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Basic information

CAS: 1129-78-8
Standard SMILES: Fc1ccc(OCCCBr)cc1
InChIKey: VKNUENLPKPOOPS-UHFFFAOYSA-N
Molecular formula: C9H10BrFO
Average molar mass: 233.08 g/mol
Monoisotopic mass: 231.98990526

Names & identifiers

Preferred name: 1-(3-Bromopropoxy)-4-fluorobenzene
IUPAC: 1-(3-bromopropoxy)-4-fluorobenzene
English name: 1-(3-Bromopropoxy)-4-fluorobenzene
Molecular formula: C9H10BrFO
Molecular weight: 233.08

Names & synonyms

1-(3-bromopropoxy)-4-fluorobenzeneDTXSID10293582RefChem:423491DTXCID20244722856-885-61129-78-8MFCD00596629NSC90824Benzene, 1-(3-bromopropoxy)-4-fluoro-NCIOpen2_0062914-fluorophenoxypropyl bromideSCHEMBL1427333

Show more names

4-Fluorophenoxypropylbromide1-BROMO-3-(4'-FLUOROPHENOXY)PROPANE

VKNUENLPKPOOPS-UHFFFAOYSA-N3-(4-Fluorophenoxy)propyl bromide3-bromopropyl 4-fluorophenyl ether1-bromo-3-(4-fluorophenoxy)propaneNSC-908241-(3-bromopropoxy)-4-fluoro-benzeneAKOS000343485AB90579

Database identifiers

CAS: 1129-78-8
PubChem CID: 260004
DTXSID: DTXSID10293582
EC Number: 856-885-6
Nikkaji: J410.176F

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 113

Physicochemical properties

Boiling point: 155 °C · 155 °C (12 mmHg)
Density: 1.422 · 1.422±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H335-H315-H302
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Hazard Codes: Xn,Xi
Risk Statements: 36 · 36/37/38-20/22
Safety Statements: 37 · 37/39-26
HazardClass: IRRITANT
HS Code: 29093038 · 29093038

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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: 29093038
risk_code: 36/37/38-20/22
Signal word: Danger
Symbol(GHS): GHS07,GHS05
hazard_code: Xn,Xi
safety_code: 37/39-26
hazard_class: IRRITANT
Hazard statements: H318-H335-H315-H302
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310