4-nitrophenyl isocyanate

Names

[ CAS No. ]:
100-28-7

[ Name ]:
4-nitrophenyl isocyanate

[Synonym ]:
Isocyanic Acid 4-Nitrophenyl Ester
1-Isocyanato-4-nitro-benzene
Benzene, 1-isocyanato-4-nitro-
MFCD00007306
1-Isocyanato-4-nitrobenzene
4-nitrophenyl isocyanate
EINECS 202-836-3

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
270.4±0.0 °C at 760 mmHg

[ Melting Point ]:
56-59 °C(lit.)

[ Molecular Formula ]:
C₇H₄N₂O₃

[ Molecular Weight ]:
164.118

[ Flash Point ]:
121.2±22.6 °C

[ Exact Mass ]:
164.022186

[ PSA ]:
75.25000

[ LogP ]:
2.96

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.589

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DA3692500

CHEMICAL NAME :: Benzene, 1-isocyanato-4-nitro-

CAS REGISTRY NUMBER :: 100-28-7

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C7-H4-N2-O3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1600 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness Behavioral - ataxia

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528342

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness Behavioral - ataxia

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528342

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 10 mL/kg

TOXIC EFFECTS :: Skin and Appendages - dermatitis, other (after systemic exposure)

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528342

Safety Information

[ Symbol ]:

GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302 + H332-H315-H319-H334-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338-P342 + P311

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S22-S26-S36/37/39-S45

[ RIDADR ]:
2206

[ WGK Germany ]:
3

[ RTECS ]:
DA3692500

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2929109000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2929109000

[ Summary ]:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Design, synthesis and ¹H NMR study of C3v-symmetric anion receptors with urethane-NH as recognition group.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 153 , 199-205, (2015)

C3v-Symmetric anion receptors 3 and 4 with urethane groups were synthesized by using trindane triol as tripodal molecular framework. In (1)H NMR titration study, the receptors showed noticeable downfi...

Pyrrolylamidourea based anion receptors. Evans LS, et al.

New J. Chem. 30(7) , 1019-1025, (2006)