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Tetramethylene diisocyanate

Tetramethylene diisocyanate structure

CAS No:
4538-37-8
Formula:
C6H8N2O2
Chemical Name:
Tetramethylene diisocyanate
Synonyms:
Butane,1,4-diisocyanato-;Isocyanic acid,tetramethylene ester;1,4-Diisocyanatobutane;1,4-Tetramethylenediisocyanate;Tetramethylene diisocyanate;Tetramethylene isocyanate;Butylenediisocyanate;1,4-Butanediol diisocyanate;NSC 510650;Butane 1,4-diisocyanate;1,4-Butylene diisocyanate
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear light yellow liquid

Tetramethylene diisocyanate Basic Attributes

Molecular Weight：

140.142

Exact Mass：

140.14

NSC Number：

510650

DSSTox ID：

DTXSID90325552

HScode：

29291000

Characteristics

PSA：

58.9

XLogP3：

2.27

Density：

1.1±0.1 g/cm3

Melting Point：

-41.93 °C

Boiling Point：

75-76 °C @ Press: 14 Torr

Flash Point：

106.7±0.0 °C

Refractive Index：

1.484

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 2206

wgk germany：

hazard class code：

R20/21/22

safety instructions：

S26-S27-S37-S39

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Danger|H302 (60.94%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P280, P284, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 64 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:140.14
XLogP3:2.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:140.058577502
Monoisotopic Mass:140.058577502
Topological Polar Surface Area:58.9
Heavy Atom Count:10
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1,4-Diisocyanatobutane

CAS No.: 4538-37-8

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Guide of Tetramethylene diisocyanate

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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Tetramethylene diisocyanate

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