CAS 590-13-6 cis-1-Bromo-1-propene (HCID 643834)

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Basic information

CAS: 590-13-6
Standard SMILES: C/C=C\Br
InChIKey: NNQDMQVWOWCVEM-IHWYPQMZSA-N
Molecular formula: C3H5Br
Average molar mass: 120.98 g/mol
Monoisotopic mass: 119.95746226

Names & identifiers

Preferred name: cis-1-Bromo-1-propene
IUPAC: (Z)-1-bromoprop-1-ene
English name: CIS-1-BROMO-1-PROPENE
Molecular formula: C3H5Br
Molecular weight: 120.98

Names & synonyms

cis-1-Bromo-1-propeneRefChem:577293628-896-4590-13-6(Z)-1-bromoprop-1-ene(Z)-1-Bromo-1-propene(1Z)-1-bromoprop-1-eneMFCD00082571MFCD00000186cis-1-Bromopropene1-propene, 1-bromo-, (1Z)-(Z)-1-Bromo-1-propene; (Z)-1-Propenyl Bromide; cis-1-Propenyl Bromide

Show more names

(Z)-1-Bromopropene(Z)-1-Propenyl bromide(Z)-Propenyl bromidePropene,1-bromo-,(Z)-

1-Propene, 1-bromo-, (Z)-Z-1-bromopropenecis-propenyl bromidecis-1-bromo-prop-1-ene(1Z)-1-bromo-1-propene(Z)-1-bromo-prop-1-eneSCHEMBL346646SCHEMBL6291935

Database identifiers

CAS: 590-13-6
PubChem CID: 643834
DTXSID: DTXSID901350251
EC Number: 628-896-4
Nikkaji: J96.195G

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 4
Formal charge: 0
Complexity: 22.5

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: -113 °C · -113°C
Boiling point: 58 °C · 58 °C(lit.)
Density: 1.423 g/mL · 1.423 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4545(lit.)
Flash point: 30 °F · <−30 °F
solubility: soluble in Chloroform
form: Oil
color: Colourless
Sensitive: Light Sensitive
Stability: Light Sensitive, Volatile
InChI: 1S/C3H5Br/c1-2-3-4/h2-3H,1H3/b3-2-
InChIKey: NNQDMQVWOWCVEM-IHWYPQMZSA-N
SMILES: C\C=C/Br

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 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.