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Benzoic acid, 4-isothiocyanato-, ethyl ester

Benzoic acid, 4-isothiocyanato-, ethyl ester structure

CAS No:
1205-06-7
Formula:
C10H9NO2S
Chemical Name:
Benzoic acid, 4-isothiocyanato-, ethyl ester
Synonyms:
Benzoic acid,4-isothiocyanato-,ethyl ester;Benzoic acid,p-isothiocyanato-,ethyl ester;4-Carbethoxyphenyl isothiocyanate;4-(Ethoxycarbonyl)phenyl isothiocyanate;p-Carbethoxyphenyl isothiocyanate;Ethyl 4-isothiocyanatobenzoate;NSC 294821;4-Isothiocyanatobenzoic acid ethyl ester

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Benzoic acid, 4-isothiocyanato-, ethyl ester Basic Attributes

Molecular Weight：

207.25

Exact Mass：

207.25

BRN：

2213400

EC Number：

214-880-0

NSC Number：

294821

DSSTox ID：

DTXSID80152879

HScode：

2930909090

Characteristics

PSA：

70.8

XLogP3：

2.59760

Appearance：

White to yellow Solid

Density：

1.14 g/cm3

Melting Point：

98 °C

Boiling Point：

123-127 °C @ Press: 0.1 Torr

Flash Point：

123-127°C/1mm

Refractive Index：

1.558

Vapor Pressure：

0.000201mmHg at 25°C

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

2811

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Marks：

C,T,Xi

Hazard note：

Toxic/Corrosive/Lachrymatory/Moisture Sensitive

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): 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 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:207.25
XLogP3:4.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:207.03539970
Monoisotopic Mass:207.03539970
Topological Polar Surface Area:70.8
Heavy Atom Count:14
Complexity:241
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzoic acid, 4-isothiocyanato-, ethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Benzoic acid, 4-isothiocyanato-, ethyl ester

SDS

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