1-Bromo-3-isopropoxybenzene

HCID 3260801

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Basic information

CAS: 131738-73-3
Standard SMILES: CC(C)Oc1cccc(Br)c1
InChIKey: JYWJZIQSPRFCDB-UHFFFAOYSA-N
Molecular formula: C9H11BrO
Average molar mass: 215.09 g/mol
Monoisotopic mass: 213.99933

Names & identifiers

Preferred name: 1-Bromo-3-isopropoxybenzene
IUPAC: 1-bromo-3-propan-2-yloxybenzene
English name: 1-Bromo-3-isopropoxybenzene
Molecular formula: C9H11BrO
Molecular weight: 215.09

Names & synonyms

1-Bromo-3-isopropoxybenzene131738-73-31-bromo-3-(propan-2-yloxy)benzeneDTXSID90390760RefChem:430484DTXCID40341621628-160-23-Bromophenyl isopropyl ether3-bromoisoproproxylbenzene1-bromo-3-propan-2-yloxybenzene2-(3-Bromophenoxy)propaneMFCD00070756

Show more names

2-(3'-BROMOPHENOXY)PROPANE3-BROMOPHENYL ISOPROPYL KETONEISOPROPYL 3-BROMOPHENYL KETONE1-Bromo-3-isopropoxybenzene >1-Bromo-3-isopropoxybenzene-98%

3-bromo-isopropoxybenzeneBenzene, 1-bromo-3-(1-methylethoxy)-3-bromoisopropoxybenzene3-Isopropoxy-1-bromobenzene3-bromo phenyl isopropyl ether3-bromo-i-propoxybenzene3-Bromophenylisopropylether1-bromo-3-isopropoxy-benzene

Database identifiers

CAS: 131738-73-3
PubChem CID: 3260801
DTXSID: DTXSID90390760
EC Number: 628-160-2、923-939-6
Nikkaji: J2.639.477E

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 114

Physicochemical properties

Boiling point: 222 °C · 222 °C(lit.)
Density: 1.331 g/mL · 1.331 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.539(lit.)
Flash point: 228 °F · 228 °F
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Yellow
Specific Gravity: 1.331 · 1.331
BRN: 4176950 · 4176950
InChI: 1S/C9H11BrO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,1-2H3
InChIKey: JYWJZIQSPRFCDB-UHFFFAOYSA-N
SMILES: CC(C)Oc1cccc(Br)c1
CAS DataBase Reference: 131738 · 131738-73-3(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
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 29093090 · 29093090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3