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

  • 1-(5-Vinylpyridin-2-yl)azepane
  • 4-((5-Phenyl-2-(pyrimidin-5-yl)quinazolin-4-ylamino)methyl)benzoic acid
  • 1-(5-(tert-Butylthio)pyridin-2-yl)azepane
  • 2-(5-Bromopyridin-3-ylsulfonyl)acetamide
  • (6-Morpholinopyridin-3-yl)(phenyl)methanone
  • 5-(Cyclopropanecarboxamido)nicotinic acid
  • 4-(5-(tert-Butylthio)pyridin-2-yl)morpholine
  • 2-(diethoxymethyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
  • Phenyl(6-(piperazin-1-yl)pyridin-3-yl)methanone
  • 6-Bromo-2-methylimidazo[1,2-a]pyridine-8-sulfonamide
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