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Merck
CN

487384

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

Key Documents

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Quality Level

100

Assay

97%

bp

66 °C/0.3 mmHg (lit.)

mp

36-40 °C (lit.)

functional group

amine
isocyanate

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

Related Categories

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCS7171
MKCP6329
MKCM1954
SHBB2607V
01308PH

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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)
Sophie Ayciriex et al.
Frontiers in molecular neuroscience, 10, 211-211 (2017-07-27)
Impairment in cholesterol metabolism is associated with many neurodegenerative disorders including Alzheimer's disease (AD). However, the lipid alterations underlying neurodegeneration and the connection between altered cholesterol levels and AD remains not fully understood. We recently showed that cholesterol accumulation in
Siker Kimbung et al.
Endocrine-related cancer, 24(7), 339-349 (2017-04-27)
The impact of systemic 27-hydroxycholesterol (27HC) and intratumoral CYP27A1 expression on pathobiology and clinical response to statins in breast cancer needs clarification. 27HC is an oxysterol produced from cholesterol by the monooxygenase CYP27A1, which regulates intracellular cholesterol homeostasis. 27HC also

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