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2-(METHOXYCARBONYL)PHENYL ISOCYANATE

2-(METHOXYCARBONYL)PHENYL ISOCYANATE structure

CAS No:
1793-07-3
Formula:
C9H7NO3
Chemical Name:
2-(METHOXYCARBONYL)PHENYL ISOCYANATE
Synonyms:
METHYL 2-ISOCYANATOBENZOATE;2-(METHOXYCARBONYL)PHENYL ISOCYANATE;2-(Carbomethoxy)phenyl isocyanate~Methyl 2-isocyanatobenzoate;2-Isocyanatobenzoic acid methyl ester;Methyl 2-isocyanatobenzoateMethyl 2-isocyanatobenzoate;Methyl 2-isocyanatobenzoate 97%
Categories:
Chemical Reagents > Organic Reagents

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2-(METHOXYCARBONYL)PHENYL ISOCYANATE Basic Attributes

Molecular Weight：

177.16

Exact Mass：

177.042587

BRN：

1241370

DSSTox ID：

DTXSID50334044

HScode：

2929109000

Characteristics

PSA：

55.7

XLogP3：

3.37

Appearance：

White to off-white Solid or Crystalline Solid

Density：

1.15±0.1 g/cm3 (20 ºC 760 Torr)

Melting Point：

45-49 °C(lit.)

Boiling Point：

101 °C2 mm Hg(lit.)

Flash Point：

145-146°C/16mm

Refractive Index：

1.5200 (estimate)

Water Solubility：

Hydrolyzes in water.

Vapor Pressure：

0.0083mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2811

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-27-37/39

Marks：

Xn,Xi

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Danger|H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, 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.

Computed Properties

Molecular Weight:177.16
XLogP3:2.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:177.042593085
Monoisotopic Mass:177.042593085
Topological Polar Surface Area:55.7
Heavy Atom Count:13
Complexity:233
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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methyl 2-isocyanatobenzoate

CAS No.: 1793-07-3

Content: 99.00%

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Guide of 2-(METHOXYCARBONYL)PHENYL ISOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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2-(METHOXYCARBONYL)PHENYL ISOCYANATE

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