4-((Bis(2-chloroethyl)amino)methyl)-2-nitro-phenol hydrochloride

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Names

[ CAS No. ]:
77905-50-1

[ Name ]:
4-((Bis(2-chloroethyl)amino)methyl)-2-nitro-phenol hydrochloride

[Synonym ]:
4-[bis(2-chloroethyl)aminomethyl]-2-nitrophenol hydrochloride
4-Hydroxy-3-nitrobenzyl-bis(2-chloroethyl)amine hydrochloride
Phenol,4-((bis(2-chloroethyl)amino)methyl)-2-nitro-,hydrochloride

Chemical & Physical Properties

[ Boiling Point ]:
339.9ºC at 760 mmHg

[ Molecular Formula ]:
C11H15Cl3N2O3

[ Molecular Weight ]:
329.60700

[ Flash Point ]:
159.4ºC

[ Exact Mass ]:
328.01500

[ PSA ]:
69.29000

[ LogP ]:
3.90520

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SJ7781200
CHEMICAL NAME :
Phenol, 4-((bis(2-chloroethyl)amino)methyl)-2-nitro-, hydrochloride
CAS REGISTRY NUMBER :
77905-50-1
LAST UPDATED :
198609
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-Cl2-N2-O3.Cl-H
MOLECULAR WEIGHT :
329.63
WISWESSER LINE NOTATION :
WNR BQ E1N2G2G &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
85 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Gastrointestinal - other changes
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 15,81,1981

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 2-{4-[(2,5-dioxoimidazolidin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetamide
  • (2S,3S)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)oxolane-3-carboxylic acid
  • (4S,5R)-4-(Aminomethyl)-1-methyl-5-(trimethyl-1H-pyrazol-4-yl)pyrrolidin-2-one
  • (4S,5R)-4-(aminomethyl)-1-(2-methoxyethyl)-5-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
  • 3-chloro-N-methoxy-1-(4-methoxybenzyl)-N-methyl-1H-pyrazole-4-carboxamide
  • ethyl 5-formyl-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate
  • ethyl 2-(4-(5-methyl-2-(pyridin-2-ylamino)thiazol-4-yl)-1H-pyrazol-1-yl)acetate
  • (2S,3S)-3-Phenyltetrahydrofuran-2-carboxylic acid
  • N-Methyl-1-((2R,3S)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl)methanamine
  • methyl({[(2R,3S)-1-methyl-2-(1-methyl-1H-pyrazol-4-yl)piperidin-3-yl]methyl})amine
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