Basic information
- CAS
19347-73-0- Standard SMILES
O=C(Cl)CCCCCCl- InChIKey
WZILXAPNPKMOSA-UHFFFAOYSA-N- Molecular formula
- C6H10Cl2O
- Average molar mass
- 169.05 g/mol
- Monoisotopic mass
- 168.0108703
Names & identifiers
- Preferred name
- 6-Chlorohexanoyl chloride
- IUPAC
- 6-chlorohexanoyl chloride
- English name
- 6-Chlorohexanoyl chloride
- Molecular formula
- C6H10Cl2O
- Molecular weight
- 169.05
Names & synonyms
6-Chlorohexanoyl chloride19347-73-0Hexanoyl chloride, 6-chloro-EINECS 242-979-9DTXSID20172950RefChem:104436DTXCID2095441242-979-9WZILXAPNPKMOSA-UHFFFAOYSA-N6-CHLOROHEXANOYLCHLORIDEMFCD000414366-chlorocaproyl chloride
Show more names
NISTC19347730Apixaban Impurity 576-Chlorocaproic acid chloride6-Chlorohexanoic acid chloride6-CHLOROHEXANOYL CHLORIDE ISO 9001：2015 REACH
Apixaban Impurity 1276-chloro-caproyl chlorideSCHEMBL2032856-Chlorohexanoyl chloride, 96%AKOS006221914CS-0165967FT-06210696-chloro-hexanoyl chloride
Database identifiers
- CAS
19347-73-0- PubChem CID
- 88014
- DTXSID
DTXSID20172950- EC Number
- 242-979-9
- Nikkaji
- J242.777J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83.1
Physicochemical properties
- Boiling point
- 90 °C · 90°C 7mm
- Density
- 1.4 g/mL · 1.400 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.4640(lit.)
- Flash point
- 230 °F · >230 °F
- Sensitive
- Moisture Sensitive
- BRN
- 1852393 · 1852393
- InChI
- 1S/C6H10Cl2O/c7-5-3-1-2-4-6(8)9/h1-5H2
- InChIKey
- WZILXAPNPKMOSA-UHFFFAOYSA-N
- SMILES
- ClCCCCCC(Cl)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- risk_code
- 14-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Applications
Uses6-Chlorohexanoyl chloride may be used in the following processes: Preparation of tert-butyl-N-(2-(6-chlorovaleryl)phenyl)carbamate, an intermediate for synthesizing the ketone analog of 2-amino-N-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)-butyl)benzamide hydrochloride.Preparation of (S)-(-)6-chlorohexanoic acid (2-methoxymethylpyrrolidin-1-yl)amide, a precursor for synthesizing 2-alkyl-substituted lactones.Deprotection and acylation of the pendant nitrogen during the preparation of a new cryptand with hydroxamate moiety that can bind with tribasic cations.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers49 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
10 records
Compound notes
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