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Sigma-Aldrich

4-(Dimethylamino)phenyl isocyanate

97%

Synonym(s):

(4-Isocyanatophenyl)dimethylamine, 4-(Dimethylamino)-4-isocyanatobenzene, 4-(N,N-Dimethylamino)phenyl isocyanate, 4-Dimethylamino-1-isocyanatobenzene, 4-Isocyanato-N,N-dimethylbenzenamine, 4-N,N-Dimethyl-phenylisocyanate, p-Dimethylaminophenyl isocyanate

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About This Item

Linear Formula:
(CH3)2NC6H4NCO
CAS Number:
16315-59-6
Molecular Weight:
162.19
MDL number:
MFCD00673054
UNSPSC Code:
12352100
PubChem Substance ID:
24872268
NACRES:
NA.22

Assay

97%

bp

66 °C/0.3 mmHg (lit.)

mp

36-40 °C (lit.)

storage temp.

−20°C

SMILES string

CN(C)c1ccc(cc1)N=C=O

InChI

1S/C9H10N2O/c1-11(2)9-5-3-8(4-6-9)10-7-12/h3-6H,1-2H3

InChI key

YZEHDFBYSOKBED-UHFFFAOYSA-N

General description

4-(Dimethylamino)phenyl isocyanate, also known as 4-isocyanato-N,N-dimethylaniline, is an organic building block containing an isocyanate group. Its freezing point, density and refractive index are 311.15K, 1.1436g/cm3 and 1.5600 respectively. The mechanism of hydrolysis of 4-(dimethylamino)phenyl isocyanate has been studied.

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Yaws CL.
The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals, 237-237 (2015)
Experimental and theoretical evidence for a concerted catalysis by water clusters in the hydrolysis of isocyanates.
Raspoet G, et al.
The Journal of Organic Chemistry, 63(20), 6867-6877 (1998)
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