3,5-bis[(2-chloroethyl-nitroso-carbamoyl)amino]benzoic acid

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Names

[ CAS No. ]:
13907-61-4

[ Name ]:
3,5-bis[(2-chloroethyl-nitroso-carbamoyl)amino]benzoic acid

Chemical & Physical Properties

[ Density]:
1.64g/cm3

[ Molecular Formula ]:
C13H14Cl2N6O6

[ Molecular Weight ]:
421.19300

[ Exact Mass ]:
420.03500

[ PSA ]:
160.84000

[ LogP ]:
3.03900

[ Index of Refraction ]:
1.658

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG4429500
CHEMICAL NAME :
Benzoic acid, 3,5-bis(3-(2-chloroethyl)-3-nitrosoureido)-
CAS REGISTRY NUMBER :
13907-61-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H14-Cl2-N6-O6
MOLECULAR WEIGHT :
421.23
WISWESSER LINE NOTATION :
ONN2GVMR CVQ EMVNNO&&2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD10 - Lethal Dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
370 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 9,892,1966

Safety Information

[ HS Code ]:
2924299090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3,5-Diaminobenzoic acid
  • Benzoicacid, 3,5-bis[[[(2-chloroethyl)amino]carbonyl]amino]-

DownStream

Customs

[ HS Code ]: 2924299090

[ Summary ]:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • 3-(4-Fluorophenyl)prop-2-enethioamide
  • 2-Methoxy-6-(5-methyl-1,2,4-oxadiazol-3-YL)pyrazine
  • 2-(3-Methoxyphenyl)-1,3(2H,4H)-isoquinolinedione
  • 6-Cyclopentylhexanoic acid
  • 1-Ethyl-6-fluoro-7-(1-piperazinyl)-1,8-naphthyridin-4(1H)-one
  • 1-(5-Nitro-2,3-dihydrobenzofuran-2-yl)ethanone
  • Ethyl 7-Nitroheptanoate
  • N-methyl-1-(6-methylpyridin-2-yl)propan-2-amine
  • 2-{Bicyclo[2.2.1]hept-5-en-2-yl}ethan-1-amine
  • (cyclopropylmethyl)(1H-imidazol-2-ylmethyl)amine
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