CAS 764-85-2 Nonanoyl chloride (HCID 69819)

Names & identifiers

Preferred name: Nonanoyl chloride
IUPAC: nonanoyl chloride
English name: NONANOYL CHLORIDE
Molecular formula: C9H17ClO
Molecular weight: 176.68

Names & synonyms

Nonanoyl chloride764-85-2NonanoylchloridePelargonoyl chlorideNonanoic acid chloridePelargonyl chloriden-Nonanoyl chlorideMFCD00000768pelargonic acid chlorideC9H17ClODTXSID30422150V0DUM0390

Show more names

NonanoyLNNCLNonoyl ChloridePelargonic chlorideNONYL ACID CHLORIDENonanoylChloride>PELARGONOYL CHLORIDE

NSC 9829EINECS 212-131-2UNII-0V0DUM0390NSC-9829Nonanoyl ChloridNSC 9829; Nonanoic Acid Chloride; Pelargonic Acid Chloride; Pelargonoyl Chloride; Pelargonyl Chloride; n-Nonanoyl Chloridenonanic acid chlorideNonanoyl chloride, 96%

Database identifiers

CAS: 764-85-2
PubChem CID: 69819
DTXSID: DTXSID3042215
ChEMBL: CHEMBL3189014
UNII: 0V0DUM0390
EC Number: 212-131-2
Nikkaji: J110.169B

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 11
Formal charge: 0
Complexity: 102

Physicochemical properties

Melting point: -60.5 °C · -60.5 °C
Boiling point: 108 · 108-110 °C/22 mmHg (lit.)
Density: 0.98 g/mL · 0.98 g/mL at 25 °C (lit.)
vapor pressure: 0.2 hPa · 0.2 hPa (20 °C)
refractive index: 20 · n20/D 1.438(lit.)
Flash point: 203 °F · 203 °F
storage temp.: 30 °C · Store below +30°C.
solubility: soluble in Chloroform
form: clear liquid
color: Colorless to Light yellow
explosive limit: 0.8 · 0.8-3.7%(V)
Water Solubility: Reacts with water.
Sensitive: Moisture Sensitive
BRN: 1362621 · 1362621
InChI: 1S/C9H17ClO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3
InChIKey: NTQYXUJLILNTFH-UHFFFAOYSA-N
SMILES: CCCCCCCCC(Cl)=O
LogP: 4.18 · 4.180 (est)
CAS DataBase Reference: 764 · 764-85-2(CAS DataBase Reference)
FDA UNII: 0 V0DUM0390 · 0V0DUM0390
EPA Substance Registry System: Nonanoyl chloride (764-85-2)
UNSPSC Code: 12352106 · 12352106
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 · 14-34-37
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
F: 9 · 9-19-21
Autoignition Temperature: 225 °C · 225 °C
TSCA: TSCA listed
HS Code: 2915 · 2915 90 70
HazardClass: 8 · 8
PackingGroup: II
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

Safety data

F: 9-19-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 2915 90 70
risk_code: 14-34-37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 26-36/37/39-45
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
Autoignition Temperature: 225 °C
Precautionary statements: P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesNonanoyl chloride is used for the acylation of amine groups of chitosan to simultaneously improve its material properties and adsorption capacity. It was also used in the synthesis of N-nonanoyl piperonylamide, caged vanilloid, N-(4-hydroxy-3-methoxybenzyl)-N-(2-nitrobenzyl)-nonanoylamide or N-(2-Nitrobenzyl)-N-vanillyl-nonanoylamide, n-benzylnonanamide.