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Basic information
- CAS
4117-09-3- Standard SMILES
C=CCCCCCBr- InChIKey
GNYDYUQVALBGGZ-UHFFFAOYSA-N- Molecular formula
- C7H13Br
- Average molar mass
- 177.08 g/mol
- Monoisotopic mass
- 176.02006
Names & identifiers
- Preferred name
- 7-Bromo-1-heptene
- IUPAC
- 7-bromohept-1-ene
- English name
- 7-Bromo-1-heptene
- Molecular formula
- C7H13Br
- Molecular weight
- 177.08
Names & synonyms
7-Bromo-1-heptene4117-09-3DTXSID50335314RefChem:545579DTXCID00286403628-881-27-bromohept-1-eneMFCD016311371-Heptene, 7-bromo1-Heptene, 7-bromo-bromo-7 heptene-17-bromo-heptene
Show more names
7-Bromo-1-hexene7-Bromo-1-penteneBROMO(7-)-1-HEPTENE7-Bromohept-1-ene 98%7-BROMO-1-HEPTENE 97+%
7-Bromo-l-heptene1-Bromo-6-hepteneSCHEMBL313582SCHEMBL92203227-Bromo-1-heptene, >=97%AKOS013153300CS-W009270GS-3729
Database identifiers
- CAS
4117-09-3- PubChem CID
- 524450
- DTXSID
DTXSID50335314- EC Number
- 628-881-2
- Nikkaji
- J97.502H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 50
Experimental & physicochemical properties
Kovats Retention Index
1008
1358
Physicochemical properties
- Melting point
- 0 °C · 0°C
- Boiling point
- 27 °C/1 · 27 °C/1 mmHg (lit.)
- Density
- 1.162 g/mL · 1.162 g/mL at 25 °C (lit.)
- vapor pressure
- 2.77 hPa · 2.77hPa at 25℃
- refractive index
- 20 · n20/D 1.466(lit.)
- Flash point
- 137 °F · 137 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- Specific Gravity
- 1.162 · 1.162
- color
- Colorless to pale yellow
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C7H13Br/c1-2-3-4-5-6-7-8/h2H,1,3-7H2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 47 reports by companies from 9 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
Regulatory InformationStatus: Active Update: 30-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33533
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)
Regulatory information
Regulatory InformationStatus: Active Update: 30-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33533
Safety data
Chemistry & industry
Applications
Uses7-Bromo-1-heptene may be used to synthesize:boc-L-2-amino-8-nonenoic acid (boc = tert-butyloxycarbonyl)9-hept-6-enyloxy-5-hydroxymethyl-2-isopropyl-1-methyl-1,4,5,6-tetrahydro-2H-benzo[e][1,4] diazocin-3-one8-hydroxy-15,15,15-trifluoro-1-pentadece
General Description7-Bromo-1-heptene is a linear halogenated alkene.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
14 records
Compound notes
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