Dimethyl 5-nitroisophthalate

Names

[ Name ]:
Dimethyl 5-nitroisophthalate

[Synonym ]:
EINECS 236-307-3
Dimethyl 5-nitroisophthalate
MFCD00008429
1,3-Benzenedicarboxylic acid, 5-nitro-, dimethyl ester
ISOPHTHALIC ACID, 5-NITRO-, DIMETHYL ESTER
5-Nitroisophthalic acid dimethyl ester

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
360.2±22.0 °C at 760 mmHg

[ Melting Point ]:
123-125 °C(lit.)

[ Molecular Formula ]:
C₁₀H₉NO₆

[ Molecular Weight ]:
239.182

[ Flash Point ]:
164.8±24.3 °C

[ Exact Mass ]:
239.042984

[ PSA ]:
98.42000

[ LogP ]:
1.96

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.549

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CZ4340000

CHEMICAL NAME :: 1,3-Benzenedicarboxylic acid, 5-nitro-, dimethyl ester

CAS REGISTRY NUMBER :: 13290-96-5

BEILSTEIN REFERENCE NO. :: 2140916

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C10-H9-N-O6

MOLECULAR WEIGHT :: 239.20

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 :: 10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 28(6),55,1984

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
UN 2811

[ WGK Germany ]:
2

[ RTECS ]:
CZ4340000

[ HS Code ]:
2917399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2917399090

[ Summary ]:
2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Articles

Synthesis, characterization, and in vivo skeletal localization of a new (99m)Tc-based multidentate phosphonate chelate: 5-Amino-1,3-bis(ethylamine-(N,N dimethyl diphosphonic acid) acetamido) benzene.

Bioorg. Med. Chem. 15(2) , 1138-45, (2007)

The tetraphosphonate ligand, 5-amino-1,3-bis(ethylamine-(N,N-dimethyl diphosphonic acid) acetamido) benzene (IPTMP) used in the present study was prepared from 5-nitroisophthalate dimethylester to lab...

229. An attempted synthesis of perhydro-2: 8-methylenepyridocoline. Jennings KF.

J. Chem. Soc. , 1172-75, (1957)