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1-Isothiocyanatooctadecane

1-Isothiocyanatooctadecane structure

CAS No:
2877-26-1
Formula:
C19H37NS
Chemical Name:
1-Isothiocyanatooctadecane
Synonyms:
Octadecane,1-isothiocyanato-;Isothiocyanic acid,octadecyl ester;1-Isothiocyanatooctadecane;Octadecyl isothiocyanate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

WHITE TO BEIGE CRYSTALLINE LOW MELTING SOLID

1-Isothiocyanatooctadecane Basic Attributes

Molecular Weight：

311.569

Exact Mass：

311.57

EC Number：

220-722-1

DSSTox ID：

DTXSID0062680

HScode：

2930909090

Characteristics

PSA：

44.45000

XLogP3：

9.97

Appearance：

White to off-white liquid above room te.

Density：

0.8854 g/cm³ @ Temp: 20 °C

Melting Point：

29-33 °C

Boiling Point：

140-142 °C @ Press: 3 x 10^-3 Torr

Flash Point：

188.8±25.4 °C

Refractive Index：

1.483

Storage Conditions：

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

Vapor Pressure：

2.38E-05mmHg at 25°C

Safety Information

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S36/37/39-S26

Marks：

Xn:Harmful;

Stability/Shelf Life：

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

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

1-Isothiocyanatooctadecane Use and Manufacturing

Manufacturing Info：

Octadecane, 1-isothiocyanato-: ACTIVE

Computed Properties

Molecular Weight:311.6
XLogP3:10.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:17
Exact Mass:311.26467136
Monoisotopic Mass:311.26467136
Topological Polar Surface Area:44.4
Heavy Atom Count:21
Complexity:234
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 1-Isothiocyanatooctadecane

Hangzhou KieRay Chem Co.,LTD Contact Supplier

CN
5 YRS

Business licensed Certified factory

Manufactory Supplier of fine chemicals,pharmaceutical materials

Octadecyl isothiocyanate

CAS No.: 2877-26-1

Grade: industrial Grade

Content: 98%

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Guide of 1-Isothiocyanatooctadecane

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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1-Isothiocyanatooctadecane

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