CAS 3017-69-4 1-Bromo-2-methyl-1-propene (HCID 98560)

Names & identifiers

Preferred name: 1-Bromo-2-methyl-1-propene
IUPAC: 1-bromo-2-methylprop-1-ene
English name: 1-BROMO-2-METHYLPROPENE
Molecular formula: C4H7Br
Molecular weight: 135

Names & synonyms

1-Bromo-2-methyl-1-propene1-Propene, 1-bromo-2-methyl-NSC 148224DTXSID40184252RefChem:75077DTXCID501067431-Propene, 1-bromo-2-methyl-(9CI)629-499-9DEFNUDNHTUZJAL-UHFFFAOYSA-N3017-69-41-bromo-2-methylprop-1-ene1-Bromo-2-methylpropene

Show more names

2-methyl-1-propenylbromideIsocrtyl bromide1-Bromoisobutene1-Bromo-2-methyL(Z)-1-Bromo-2-butene(2Z)-1-Bromo-2-butene

Isocrotyl bromide2-Methyl-1-propenyl bromidePropene, 1-bromo-2-methyl-.beta.,.beta.-Dimethylvinylbromide1-Bromo-2-methyl-propeneMFCD00009885NSC-148224NSC148224

Database identifiers

CAS: 3017-69-4
PubChem CID: 98560
DTXSID: DTXSID40184252
ChEMBL: CHEMBL157418
UNII: VJM9JG6TGN
EC Number: 629-499-9
Nikkaji: J151.260I

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 41.6

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: -115.07 °C · -115.07°C (estimate)
Boiling point: 92 °C · 92 °C (lit.)
Density: 1.318 g/mL · 1.318 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.462(lit.)
Flash point: 46 °F · 46 °F
storage temp.: 2 · 2-8°C
form: liquid
Appearance: Colorless to light yellow Liquid
BRN: 1733844 · 1733844
InChI: InChI=1S/C4H7Br/c1-4(2)3-5/h3H,1-2H3
InChIKey: DEFNUDNHTUZJAL-UHFFFAOYSA-N
SMILES: C(/Br)=C(\C)/C
CAS DataBase Reference: 3017 · 3017-69-4
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,Xi
Risk Statements: 11 · 11-36/37/38
Safety Statements: 16 · 16-26-33
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
F: 8 · 8-19
HazardClass: 3.1 · 3.1
PackingGroup: II
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 2 (100%)

Safety data

F: 8-19
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1993 3/PG 2
risk_code: 11-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: F,Xi
safety_code: 16-26-33
hazard_class: 3.1
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H225-H315-H319-H335
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses1-Bromo-2-methyl-1-propene has been used in:preparation of esters of 2,4-dienoic acids via palladium catalyzed reaction with methyl acrylate in the presence of triethylaminetotal synthesis of ocular age pigment, A2-Esynthesis of 3-nor-geraniol [2H2]