CAS 2131-61-5|4-Nitrophenyl isothiocyanate

Introduction：Basic information about CAS 2131-61-5|4-Nitrophenyl isothiocyanate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Safety Information
4. Customs
5. Articles4
6. Synonyms

Common Name	4-Nitrophenyl isothiocyanate
CAS Number	2131-61-5	Molecular Weight	180.184
Density	1.3±0.1 g/cm3	Boiling Point	331.1±25.0 °C at 760 mmHg
Molecular Formula	C₇H₄N₂O₂S	Melting Point	110-112 °C(lit.)
MSDS	ChineseUSA	Flash Point	154.1±23.2 °C
Symbol	GHS07, GHS08	Signal Word	Danger

Names

Name	1-isothiocyanato-4-nitrobenzene
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	331.1±25.0 °C at 760 mmHg
Melting Point	110-112 °C(lit.)
Molecular Formula	C₇H₄N₂O₂S
Molecular Weight	180.184
Flash Point	154.1±23.2 °C
Exact Mass	179.999344
PSA	90.27000
LogP	3.62
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.632
InChIKey	NXHSSIGRWJENBH-UHFFFAOYSA-N
SMILES	O=[N+]([O-])c1ccc(N=C=S)cc1

Safety Information

Symbol	GHS07, GHS08
Signal Word	Danger
Hazard Statements	H315-H317-H319-H334-H335
Precautionary Statements	P261-P280-P305 + P351 + P338-P342 + P311
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes	Xn: Harmful;
Risk Phrases	R36/37/38
Safety Phrases	S22-S26-S36
RIDADR	2811
WGK Germany	3
Packaging Group	III
Hazard Class	6.1(b)
HS Code	2930909090

Customs

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles4

UV-visible and (1)H-(15)N NMR spectroscopic studies of colorimetric thiosemicarbazide anion sensors.

Org. Biomol. Chem. 13(6) , 1662-72, (2015)

Four model thiosemicarbazide anion chemosensors containing three N-H bonds, substituted with phenyl and/or 4-nitrophenyl units, were synthesised and studied for their anion binding abilities with hydr...

Investigation into the reaction of 2-amino-4, 5-dimethylthiophene-3-carboxamide with iso (and isothio) cyanates under microwave irradiation. Davoodnia A, et al.

Heteroatom Chem. 20(6) , 346-9, (2009)

Exploring the nucleophilicity of N, N'-diamidocarbenes: Heteroallenes and related compounds as coupling reagents. Lee YG, et al.

J. Phys. Org. Chem. 25(11) , 1027, (2012)

Synonyms

Benzene, 1-isothiocyanato-4-nitro-

4-nitro-phenyl isothiocyanate

1-Isothiocyanato-4-nitrobenzene

EINECS 218-359-9

p-Nitrophenyl isothiocyanate

MFCD00007307

4-Nitrophenyl isothiocyanate

Isothiocyanic Acid 4-Nitrophenyl Ester

para-nitrophenylisothiocyanate

N-p-nitrophenyl isothiocyanate

4-nitrobenzenisothiocyanate

Benzene,1-isothiocyanato-4-nitro

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