CAS 7073-94-1 o-Bromocumene (HCID 23475)

Names & identifiers

Preferred name: o-Bromocumene
IUPAC: 1-bromo-2-propan-2-ylbenzene
English name: 1-Bromo-2-(1-methylethyl)benzene
Molecular formula: C9H11Br
Molecular weight: 199.09

Names & synonyms

7073-94-11-Bromo-2-(1-methylethyl)benzeneO-BROMOCUMENEEINECS 230-370-0DTXSID80220986RefChem:855209DTXCID10143477230-370-01-Bromo-2-isopropylbenzene2-Bromocumene2-Isopropylbromobenzene1-bromo-2-propan-2-ylbenzene

Show more names

cumene,o-bromo-2-Bromocumene,97%2-Bromocumene >1-Bromo-2-isopropyLmethyl bromobenzene1-Bromo-2-(1-methyle

1-Bromo-2-IsopropYl-BenzeneCumene, o-bromo-1-bromo-2-isopropyl benzeneBenzene, 1-bromo-2-(1-methylethyl)-1-bromo-2-(propan-2-yl)benzeneMFCD000515672-BromoisopropylbenzeneCumene, 2-bromo-

Database identifiers

CAS: 7073-94-1
PubChem CID: 23475
DTXSID: DTXSID80220986
UNII: 6YV3W8ZB4K
EC Number: 230-370-0
Nikkaji: J44.145G

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 98

Physicochemical properties

Melting point: -58.8 °C · -58.8°C
Boiling point: 90 °C · 90 °C
Density: 1.3 · 1.30
refractive index: 1.541 · 1.5410
Flash point: 90 · 90-92°C/15mm
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light orange to Yellow
Specific Gravity: 1.3 · 1.30
Water Solubility: Insoluble in water.
BRN: 1857014 · 1857014
Henry's Law Constant: 1.7 · 1.7×10-3 mol/(m3Pa) at 25℃, Hine and Mookerjee (1975)
InChI: InChI=1S/C9H11Br/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3
InChIKey: LECYCYNAEJDSIL-UHFFFAOYSA-N
CAS DataBase Reference: 7073 · 7073-94-1(CAS DataBase Reference)
FDA UNII: 6 YV3W8ZB4K · 6YV3W8ZB4K
NIST Chemistry Reference: 1 · Benzene, 1-bromo-2-(1-methylethyl)-(7073-94-1)
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 315 · H315-H319-H401-H411-H227
Precautionary statements: 210 · P210-P280-P403+P235-P501-P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Safety Statements: 24 · 24/25
HS Code: 2903.99 · 2903.99.8001
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (71.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (14.3%)；Aquatic Chronic 2 (71.4%)

Safety data

hs_code: 2903.99.8001
Signal word: Warning
Symbol(GHS): GHS07,GHS09
safety_code: 24/25
hazard_class: 9
Hazard statements: H315-H319-H401-H411-H227
Precautionary statements: P210-P280-P403+P235-P501-P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313

Chemistry & industry

Applications · 1 item

Uses1-Bromo-2-(1-methylethyl)benzene serves as a precursor for synthesizing 2-isopropylbenzaldehyde via reaction with lithium metal and N,N-dimethylformamide, and for preparing 2-(2-isopropylphenyl)pyridine derivatives through coupling with tert-butyllithium, 2-(2-isopropylphenyl)pyridine, and pyridine[1].