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4-CHLOROBENZOYL ISOTHIOCYANATE

4-CHLOROBENZOYL ISOTHIOCYANATE structure

CAS No:
16794-67-5
Formula:
C8H4ClNOS
Chemical Name:
4-CHLOROBENZOYL ISOTHIOCYANATE
Synonyms:
4-CHLOROBENZOYL ISOTHIOCYANATE;P-CHLOROBENZOYL ISOTHIOCYANATE;CHLOROBENZOYL ISOTHIOCYANATE
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-CHLOROBENZOYL ISOTHIOCYANATE Basic Attributes

Molecular Weight：

197.64

Exact Mass：

196.97000

NSC Number：

29260

DSSTox ID：

DTXSID70283040

HScode：

2930909090

Characteristics

PSA：

61.5

XLogP3：

2.58300

Density：

1.29±0.1 g/cm3(Predicted)

Melting Point：

45 °C

Boiling Point：

102-103 °C(Press: 0.2 Torr)

Flash Point：

135.2ºC

Refractive Index：

1.606

Safety Information

Hazard category：

IRRITANT, CORROSIVE

Transport codes：

2927

hazard class code：

20/21/22-34

safety instructions：

26-36/37/39

Marks：

Xi,C

Precautionary statement(s)：

P261, P264, P270, P271, P272, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:197.64
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:196.9702126
Monoisotopic Mass:196.9702126
Topological Polar Surface Area:61.5
Heavy Atom Count:12
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4-CHLOROBENZOYL ISOTHIOCYANATE

Shanxi Hongruichang International Trade Co.，Ltd. Contact Supplier

CN
1 YR

Business licensed

Trader Supplier of Cosmetic raw material,API,Fertilizer,Semaglutide,Tirzepatide,Retatrutide,Pharmaceutical Peptide,Cos

4-CHLOROBENZOYL ISOTHIOCYANATE CAS 16794-67-5

CAS No.: 16794-67-5

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 4-CHLOROBENZOYL ISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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Latest News
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4-CHLOROBENZOYL ISOTHIOCYANATE

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