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4-Isothiocyanato-N,N-dimethylbenzenamine

4-Isothiocyanato-N,N-dimethylbenzenamine structure

CAS No:
2131-64-8
Formula:
C9H10N2S
Chemical Name:
4-Isothiocyanato-N,N-dimethylbenzenamine
Synonyms:
Benzenamine,4-isothiocyanato-N,N-dimethyl-;Isothiocyanic acid,p-(dimethylamino)phenyl ester;Aniline,p-isothiocyanato-N,N-dimethyl-;4-Isothiocyanato-N,N-dimethylbenzenamine;p-Isothiocyanato-N,N-dimethylaniline;p-(Dimethylamino)phenyl isothiocyanate;4-(N,N-Dimethylamino)phenyl isothiocyanate;4-(Dimethylamino)phenyl isothiocyanate;NSC 196179;(4-Isothiocyanatophenyl)dimethylamine

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4-Isothiocyanato-N,N-dimethylbenzenamine Basic Attributes

Molecular Weight：

178.25400

Exact Mass：

178.25

EC Number：

218-360-4

NSC Number：

196179

DSSTox ID：

DTXSID60175581

HScode：

2930909090

Characteristics

PSA：

47.69000

XLogP3：

2.48690

Density：

1.12 g/cm³

Melting Point：

73 °C

Boiling Point：

152 °C

Flash Point：

152°C/6mm

Refractive Index：

1.56

Water Solubility：

13.37mg/L(25 ºC)

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

2811

hazard class code：

R23/24/25;R36/37/38

safety instructions：

S26-S36/37/39-S45

RTECS Number：

NX8500000

Marks：

Xi: Irritant;T: Toxic;

Precautionary statement(s)：

P260, P261, P264, P270, P271, P272, P280, P284, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P333+P313, P361, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (13.33%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P280, P284, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P333+P313, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:178.26
XLogP3:4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:178.05646950
Monoisotopic Mass:178.05646950
Topological Polar Surface Area:47.7
Heavy Atom Count:12
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Isothiocyanato-N,N-dimethylbenzenamine

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-Isothiocyanato-N,N-dimethylbenzenamine

SDS

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