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1-isothiocyanato-3-methoxypropane

1-isothiocyanato-3-methoxypropane structure

CAS No:
17702-11-3
Formula:
C5H9NOS
Chemical Name:
1-isothiocyanato-3-methoxypropane
Synonyms:
3-methoxypropanisothiocyanate; 1-isothiocyanato-3-methoxy-propane; 3-METHOXYPROPYL ISOTHIOCYANATE; 3-Methoxy-n-propyl isothiocyanate; 3-Methoxy-propylisothiocyanat;

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1-isothiocyanato-3-methoxypropane Basic Attributes

Molecular Weight：

131.19600

Exact Mass：

131.04048508 g/mol

DSSTox ID：

DTXSID50170242

HScode：

2930909090

Characteristics

PSA：

53.68000

XLogP3：

1.12570

Appearance：

clear colorless to light yellow liquid

Density：

1.03

Boiling Point：

102ºC (35 mmHg)

Flash Point：

77ºC

Refractive Index：

1.501-1.503

Vapor Pressure：

0.538mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 2810

hazard class code：

R36/37

safety instructions：

S39

Marks：

GHS Classification：

|Danger|H302 (95.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:131.20
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:131.04048508
Monoisotopic Mass:131.04048508
Topological Polar Surface Area:53.7
Heavy Atom Count:8
Complexity:88.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-isothiocyanato-3-methoxypropane

Basic Attributes
Characteristics
Safety Information
Computed Properties

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