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4-Nitrophenyl isothiocyanate

4-Nitrophenyl isothiocyanate structure

CAS No:
2131-61-5
Formula:
C7H4N2O2S
Chemical Name:
4-Nitrophenyl isothiocyanate
Synonyms:
Benzene,1-isothiocyanato-4-nitro-;Isothiocyanic acid,p-nitrophenyl ester;1-Isothiocyanato-4-nitrobenzene;p-Nitrophenyl isothiocyanate;4-Nitrophenyl isothiocyanate;391256-09-0
Categories:
Chemical Reagents > Organic Reagents

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Description

yellow crystalline powder

4-Nitrophenyl isothiocyanate Basic Attributes

Molecular Weight：

180.18

Exact Mass：

180.18

BRN：

640027

EC Number：

218-359-9

NSC Number：

84691

DSSTox ID：

DTXSID9062198

HScode：

2930909090

Characteristics

PSA：

90.3

XLogP3：

3.62

Density：

1.3±0.1 g/cm3

Melting Point：

110-112 °C

Boiling Point：

137-138 °C

Flash Point：

137-138°C/11mm

Refractive Index：

1.632

Water Solubility：

It hydrolyzes with water. soluble in toluene.

Storage Conditions：

Store at<= 20°C.

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2811

wgk germany：

hazard class code：

36/37/38-42

safety instructions：

22-26-36

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P342 + P311

Hazard Statements：

H315-H317-H319-H334-H335

GHS Classification：

|Danger|H302 (13.04%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Nitrophenyl isothiocyanate Use and Manufacturing

Manufacturing Info：

Benzene, 1-isothiocyanato-4-nitro-: ACTIVE

Computed Properties

Molecular Weight:180.19
XLogP3:3.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:179.99934855
Monoisotopic Mass:179.99934855
Topological Polar Surface Area:90.3
Heavy Atom Count:12
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Nitrophenyl isothiocyanate

CAS No.: 2131-61-5

Content: 99.00%

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Guide of 4-Nitrophenyl isothiocyanate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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4-Nitrophenyl isothiocyanate

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