CAS 928-89-2 6-Chloro-1-hexene (HCID 70233)

Names & identifiers

Preferred name: 6-Chloro-1-hexene
IUPAC: 6-chlorohex-1-ene
English name: 6-Chlorohex-1-ene
Molecular formula: C6H11Cl
Molecular weight: 118.6

Names & synonyms

6-Chloro-1-hexene6-Chlorohex-1-ene1-Hexene, 6-chloro-5-hexenyl chloride1-Chlorohex-5-ene5-Hexen-1-yl chlorideF54S6C1C6HDTXSID7061304RefChem:104366DTXCID7048821BLMIXWDJHNJWDT-UHFFFAOYSA-N928-89-2

Show more names

Chloro-1-hex6-chloro-1-hexen6-Chloro-1-hexene,97%6-CHLORO-1-HEXENE, 97%6-CHLORO-1-HEXENE, 97%6-CHLORO-1-HEXENE, 97%6-CHLORO-1-HEXENE, 97%

MFCD00039391EINECS 213-186-56-chlorohexene1-chloro-5-hexeneUNII-F54S6C1C6HA8443766-Chloro-1-hexene, 96%SCHEMBL116622

Database identifiers

CAS: 928-89-2
PubChem CID: 70233
DTXSID: DTXSID7061304
UNII: F54S6C1C6H
EC Number: 213-186-5
Nikkaji: J246.795J

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 4
Heavy atoms: 7
Formal charge: 0
Complexity: 41

Experimental & physicochemical properties

Kovats Retention Index869

Physicochemical properties

Boiling point: 135 · 135-136 °C (lit.)
Density: 0.896 g/mL · 0.896 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.438(lit.)
Flash point: 84 °F · 84 °F
storage temp.: Flammables area
form: Liquid
Specific Gravity: 0.907 · 0.907
color: Clear colorless to light yellow
Stability: Stable. Flammable. Incompatible with strong oxidizing agents.
InChI: 1S/C6H11Cl/c1-2-3-4-5-6-7/h2H,1,3-6H2
InChIKey: BLMIXWDJHNJWDT-UHFFFAOYSA-N
SMILES: ClCCCCC=C
FDA UNII: 54 S6C1C6H · F54S6C1C6H
EPA Substance Registry System: 1 · 1-Hexene, 6-chloro- (928-89-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-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: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36-37/39
RIDADR: 3295 · UN 3295 3/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 3 · 3
HS Code: 29032900 · 29032900
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

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 (97.8%): 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 46 reports by companies from 6 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 CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3295 3/PG 2
hs_code: 29032900
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 16-26-36-37/39
hazard_class: 3
Storage Class: 3 - Flammable liquids
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Hexene, 6-chloro-: ACTIVE

Applications · 2 items

Uses6-Chloro-1-hexene is used as pharmaceutical intermediate.

General Description6-Chloro-1-hexene is an ω-chloro-1-alkene. It reacts with β-substituted imines in the presence of a rhodium catalyst to afford tri- and tetra-substituted imines. It undergoes cross-coupling reaction in the presence of copper(II) chloride and 1-phenylpropyne.

Upstream & downstream products

Upstream raw materials

5-Hexen-1-ol, 1-(4-methylbenzenesulfonate)6-Chloro-1-hexyne 1-Chloro-3-iodopropane 5-Hexenoic acid Diethyl malonate 5-Hexen-1-ol Allylmagnesium chloride Carbon tetrachloride 1-Bromo-3-chloropropane Allyl bromide

Downstream products

1-Chlorohexane 1,5-Hexadiene 1-Hexene Hexane

Suppliers96 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Related reactions

6 records

New reaction record

HRID 833724As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1139540As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1166046As reactantuspto-grants-2003_09

HRID 1416984As reactantuspto-grants-1999_06

HRID 1416985As reactantuspto-grants-1999_06

HRID 1819516As reactantuspto-grants-2009_10

Compound notes

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Basic information