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1-ADAMANTYLISOCYANATE

1-ADAMANTYLISOCYANATE structure

CAS No:
4411-25-0
Formula:
C11H15NO
Chemical Name:
1-ADAMANTYLISOCYANATE
Synonyms:
RARECHEMAQTC1023;1-isocyantoadamantane;1-AdmantylIsocyanate;1-Isocyanatoadamantane;1-ADAMANTYLISOCYANATE;Adamantane,1-isocyanato-;1-Adamantylisocyanate,98%;Adamantane-1-ylisocyanate;1-ADAMANTYLISOCYANATE98%;1-AdaMantylisocyanate,98%5GR
Categories:
Chemical Reagents > Organic Reagents

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Description

White powder

1-ADAMANTYLISOCYANATE Basic Attributes

Molecular Weight：

177.24

Exact Mass：

177.11500

DSSTox ID：

DTXSID90366127

HScode：

29291090

Characteristics

PSA：

29.4

XLogP3：

2.29100

Appearance：

White Powder

Density：

1.34 g/cm3

Melting Point：

144-146 °C(lit.)

Boiling Point：

247.1ºC at 760 mmHg

Flash Point：

88.5ºC

Refractive Index：

1.686

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2206

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-27-36/37/39

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:177.24
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:177.115364102
Monoisotopic Mass:177.115364102
Topological Polar Surface Area:29.4
Heavy Atom Count:13
Complexity:237
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes