CAS 22809-37-6 6-Bromohexanoyl chloride (HCID 89848)

Names & identifiers

Preferred name: 6-Bromohexanoyl chloride
IUPAC: 6-bromohexanoyl chloride
English name: 6-Bromohexanoyl chloride
Molecular formula: C6H10BrClO
Molecular weight: 213.5

Names & synonyms

6-Bromohexanoyl chlorideHexanoyl chloride, 6-bromo-6-Bromocaproyl chloride6YI1QB4VWJ6-bromohexanoic chlorideUNII-6YI1QB4VWJEINECS 245-236-76-BROMOCAPROIC CHLORIDEDTXSID5066829HBPVGJGBRWIVSX-UHFFFAOYSA-.OMEGA.-BROMOHEXANOYL CHLORIDE.EPSILON.-BROMOCAPROYL CHLORIDE

Show more names

6-bromo-hexanoylchlorid6-BROMO-N-CAPROYL CHLORIDE6-Bromohexanoylchloride,97%6-Bromo-1-oxohexyl chloride6-Bromo-n-hexanoyl chloride6-Bromohexanoyl Chloride >

RefChem:104331DTXCID6036758OMEGA-BROMOHEXANOYL CHLORIDEEPSILON-BROMOCAPROYL CHLORIDE245-236-7HBPVGJGBRWIVSX-UHFFFAOYSA-NInChI=1/C6H10BrClO/c7-5-3-1-2-4-6(8)9/h1-5H222809-37-6

Database identifiers

CAS: 22809-37-6
PubChem CID: 89848
DTXSID: DTXSID5066829
UNII: 6YI1QB4VWJ
EC Number: 245-236-7
Nikkaji: J236.417D

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 9
Formal charge: 0
Complexity: 85.1

Physicochemical properties

Boiling point: 130 °C/20 · 130 °C/20 mmHg (lit.)
Density: 1.395 g/mL · 1.395 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.486(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
form: clear liquid
color: Colorless to Light yellow
Specific Gravity: 1.395 · 1.395
Water Solubility: reacts
Sensitive: Moisture Sensitive
BRN: 1749739 · 1749739
InChI: 1S/C6H10BrClO/c7-5-3-1-2-4-6(8)9/h1-5H2
InChIKey: HBPVGJGBRWIVSX-UHFFFAOYSA-N
SMILES: ClC(=O)CCCCCBr
CAS DataBase Reference: 22809 · 22809-37-6(CAS DataBase Reference)
FDA UNII: 6 YI1QB4VWJ · 6YI1QB4VWJ
NIST Chemistry Reference: 6 · Hexanoyl chloride, 6-bromo-(22809-37-6)
EPA Substance Registry System: 6 · Hexanoyl chloride, 6-bromo- (22809-37-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 261 · P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 14 · 14-34-36/37
Safety Statements: 26 · 26-36/37/39-45-24/25
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-19
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29159080 · 29159080
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1BSTOT SE 3
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, 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.

Hazard information

Regulatory Information6-Bromohexanoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

F: 10-19
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29159080
risk_code: 14-34-36/37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 26-36/37/39-45-24/25
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
target organs: Respiratory system
Hazard statements: H314-H335
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
Precautionary statements: P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationHexanoyl chloride, 6-bromo-: INACTIVE

Applications

Uses6-Bromohexanoyl chloride is used as intermediates, organic synthesis, chemical research, agrochemicals and dyestuff.

Upstream & downstream products

Upstream raw materials

Downstream products

2-Heptanone, 7-bromo-1,1,1-trifluoro-

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Related reactions

194 records

New reaction record

HRID 956As reactantuspto-grants-1998_03

HRID 116850As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 126639As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 138085As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 164175As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 183454As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 186839As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 192337As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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Basic information