Basic information
- Standard SMILES
O=C(Cl)C1CCCCC1- InChIKey
RVOJTCZRIKWHDX-UHFFFAOYSA-N- Molecular formula
- C7H11ClO
- Average molar mass
- 146.61 g/mol
- Monoisotopic mass
- 146.04984265
Names & identifiers
- Preferred name
- Cyclohexanecarbonyl chloride
- IUPAC
- cyclohexanecarbonyl chloride
- English name
- Cyclohexanecarboxylic acid chloride
- Molecular formula
- C7H11ClO
- Molecular weight
- 146.61
Names & synonyms
Cyclohexanecarbonyl chloride2719-27-9Hexahydrobenzoyl chlorideCyclohexanecarboxylic acid chlorideChlorocarbonylcyclohexaneCyclohexanoyl chlorideCyclohexylcarbonyl chlorideEINECS 220-322-7NSC 85181DTXSID8062608EC 220-322-7RefChem:129556
Show more names
SKL1290ohexanecarbonyLAKOS BBS-00003918Cyclotexaformyl ChlorideCyclohexancarbonylchlorid
DTXCID2037633220-322-7RVOJTCZRIKWHDX-UHFFFAOYSA-NMFCD00001456(Chlorocarbonyl)cyclohexanecyclohexanecarbonylchlorideNSC-85181Cyclohexanecarboxylic acid chloride; Cyclohexanoic acid chloride; Cyclohexanoyl chloride; Cyclohexylcarbonyl chloride; Hexahydrobenzoyl chloride; NSC 85181
Database identifiers
- CAS
2719-27-9- PubChem CID
- 75938
- DTXSID
DTXSID8062608- UNII
- AE8H7R8K7A
- EC Number
- 220-322-7
- Nikkaji
- J68.544E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 184 °C · 184 °C (lit.)
- Density
- 1.096 g/mL · 1.096 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.469(lit.)
- Flash point
- 152 °F · 152 °F
- storage temp.
- 30 °C · Store below +30°C.
- form
- Liquid
- Specific Gravity
- 1.096 · 1.096
- color
- Clear colorless to straw
- Water Solubility
- HYDROLYSES
- Sensitive
- Moisture Sensitive
- BRN
- 742163 · 742163
- InChI
- 1S/C7H11ClO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2
- InChIKey
- RVOJTCZRIKWHDX-UHFFFAOYSA-N
- SMILES
- ClC(=O)C1CCCCC1
- CAS DataBase Reference
- 2719 · 2719-27-9(CAS DataBase Reference)
- NIST Chemistry Reference
- Cyclohexanecarbonyl chloride(2719-27-9)
- EPA Substance Registry System
- Cyclohexanecarbonyl chloride (2719-27-9)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H335
- Precautionary statements
- 261 · P261-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34-37-22
- Safety Statements
- 26 · 26-28-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 1 · 1
- F
- 9 · 9-19-21
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29162000 · 29162000
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Corr. 1BSTOT SE 3
- Toxicity
- 50 orally · LD50 orally in Rabbit: 965 mg/kg
- REACH Registrations
- Active
- 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
Danger
H302 (18.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 59 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 06-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/16373
Cyclohexanecarboxylic acid chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (18.6%)
Safety data
- F
- 9-19-21
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29162000
- Toxicity
- LD50 orally in Rabbit: 965 mg/kg
- risk_code
- 34-37-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H302-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)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Corr. 1BSTOT SE 3
- Precautionary statements
- P261-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanecarbonyl chloride: ACTIVE
Applications
UsesCyclohexanecarbonyl chloride is used in the preparation of five thiourea derivative ligands having anti-bacterial and anti-yeast activity, (N-(diethylcarbamothioyl)cyclohexanecarboxamide, N-(di-n-propylcarbamothioyl)cyclohexanecarboxamide, di-n-butylcarbamothioyl)cyclohexanecarboxamide, N-(diphenylcarbamothioyl)cyclohexanecarboxamide, N-(morpholine-4-carbonothioyl)cyclohexanecarboxamide.
General DescriptionElectrochemical reduction of cyclohexanecarbonyl chloride at a hanging mercury drop electrode in acetonitrile has been reported.
Upstream & downstream products
Upstream raw materials
Downstream products
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