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1-Chlorohexadecane

1-Chlorohexadecane structure

CAS No:
4860-03-1
Formula:
C16H33Cl
Chemical Name:
1-Chlorohexadecane
Synonyms:
1-Chlorhexadecan;1-Chlorohexadceane;1-chloro-hexadecan;1-Hexadecylchlorid;Hexadecane,1-chloro-;Palmityl chloride;orohexadecane;N-HEXADECYL CHLORIDE
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

1-Chlorohexadecane is Liquid

Liquid

The electron impact mass spectra of 1-chlorohexadecane was studied by sampling with supersonic molecular beams.

1-Chlorohexadecane Basic Attributes

Molecular Weight：

260.89

Exact Mass：

260.89

BRN：

1748498

EC Number：

225-461-7

UNII：

WQ5ZKS3EK3

NSC Number：

57106|43727

TSCA：

TSCA listed

DSSTox ID：

DTXSID3027580

Color/Form：

Colorless to Almost colorless

HScode：

29031980

Characteristics

PSA：

XLogP3：

8.94

Appearance：

Liquid

Density：

0.865 g/mL at 25 °C(lit.)

Melting Point：

8-14 °C(lit.)

Boiling Point：

149 °C1 mm Hg(lit.)

Flash Point：

138.1±3.4 °C

Refractive Index：

n20/D1.449(lit.)

Water Solubility：

0.02 g/L (20 ºC, Dec.)

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

129 mm Hg ( 21 °C)

Critical Temperature & Pressure：

Store below +30°C.

Safety Information

Transport codes：

UN 3082 9/PG 3

wgk germany：

hazard class code：

safety instructions：

26-36

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

36/37/38

RIDADR：

UN 3082 9/PG 3

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-chlorohexadecane

1-Chlorohexadecane Use and Manufacturing

Uses

1-Chlorohexadecane is used as chemical intermediate.

Intermediates

1-Chlorohexadecane is used as solvent , surfactants, pharmaceuticals, antibacterial spray.

Production

1,000,000 - 10,000,000 lb

Manufacturing Info：

All other basic organic chemical manufacturing|Hexadecane, 1-chloro-: ACTIVE

Computed Properties

Molecular Weight:260.9
XLogP3:9
Rotatable Bond Count:14
Exact Mass:260.2270787
Monoisotopic Mass:260.2270787
Heavy Atom Count:17
Complexity:123
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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