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N-HEPTYLISOCYANATE

N-HEPTYLISOCYANATE structure

CAS No:
4747-81-3
Formula:
C8H15NO
Chemical Name:
N-HEPTYLISOCYANATE
Synonyms:
HEPTYLISOCYANATE;1-HEPTYLISOCYANATE;N-HEPTYLISOCYANATE;Heptylisocyanate,97%;1-Heptylisocyanate,98%;Heptylisocyanate,97%5GR;IsocyanicAcidHeptylEster;ISOCYANICACIDN-HEPTYLESTER
Categories:
Chemical Reagents > Organic Reagents

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Description

clear yellow liquid

N-HEPTYLISOCYANATE Basic Attributes

Molecular Weight：

141.21

Exact Mass：

141.11500

BRN：

1754817

DSSTox ID：

DTXSID10197152

HScode：

2929109000

Characteristics

PSA：

29.4

XLogP3：

2.29260

Appearance：

clear yellow liquid

Density：

0.876 g/mL at 25 °C(lit.)

Boiling Point：

75 °C15 mm Hg(lit.)

Flash Point：

145 °F

Refractive Index：

n20/D 1.426(lit.)

Storage Conditions：

Refrigerator

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2206 6.1/PG 3

wgk germany：

hazard class code：

10-20/21/22-36/37/38-41

safety instructions：

16-26-36/37/39-45

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H318-H332-H335

GHS Classification：

|Danger|H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

N-HEPTYLISOCYANATE Use and Manufacturing

Organic intermediates

Computed Properties

Molecular Weight:141.21
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:141.115364102
Monoisotopic Mass:141.115364102
Topological Polar Surface Area:29.4
Heavy Atom Count:10
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes