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methyl 3-isothiocyanatopropanoate

methyl 3-isothiocyanatopropanoate structure

CAS No:
18967-35-6
Formula:
C5H7NO2S
Chemical Name:
methyl 3-isothiocyanatopropanoate
Synonyms:
Methyl 3-isothiocyanatopropionate; 3-Isothiocyanato-propionsaeure-methylester;

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methyl 3-isothiocyanatopropanoate Basic Attributes

Molecular Weight：

145.18000

Exact Mass：

145.01974964 g/mol

DSSTox ID：

DTXSID00172377

HScode：

2930909090

Characteristics

PSA：

70.75000

XLogP3：

0.65230

Density：

1.18

Boiling Point：

226ºC at 760 mmHg

Flash Point：

90.5ºC

Refractive Index：

1.513

Vapor Pressure：

0.0837mmHg at 25°C

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 2927

hazard class code：

R20/21/22; R34

safety instructions：

S26-S36/37/39-S45

GHS Classification：

|Danger|H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:145.18
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:145.01974964
Monoisotopic Mass:145.01974964
Topological Polar Surface Area:70.8
Heavy Atom Count:9
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl 3-isothiocyanatopropanoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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