Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Nitrocaphane
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Purity: 98.0%
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Nitrocaphane
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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54940-95-3

54940-95-3 structure

54940-95-3 structure

Name: Nitrocaphane
Chemical Name: Nitrocaphane/3
CAS Number: 54940-95-3
Molecular Formula: C₁₄H₁₉Cl₂N₃O₄
Molecular Weight: 364.22400
Catalog: Biochemical Amino acids and their derivatives Alanine derivatives
Create Date: 2018-09-27 13:04:40
Modify Date: 2025-08-23 18:09:45

Name	Nitrocaphane/3
Synonyms	Nitrocaphane At-1258 Phenylalanine,2-((bis(2-chloroethyl)amino)methyl)-5-nitro 2-((Bis(2-chloroethyl)amino)methyl)-5-nitrophenylalanine 3-[2-[[Bis(2-chloroethyl)amino]methyl]-5-nitrophenyl]-2-aminopropionic acid (S)-2-Amino-3-(2-((bis(2-chloroethyl)amino)methyl)-5-nitrophenyl)propanoic acid

Density	1.392g/cm3
Boiling Point	475.2ºC at 760 mmHg
Molecular Formula	C₁₄H₁₉Cl₂N₃O₄
Molecular Weight	364.22400
Flash Point	241.2ºC
Exact Mass	363.07500
PSA	112.38000
LogP	3.05230
Index of Refraction	1.595

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SQ7329600

CHEMICAL NAME :: Phenylalanine, 2-((bis(2-chloroethyl)amino)methyl)-5-nitro-

CAS REGISTRY NUMBER :: 54940-95-3

LAST UPDATED :: 198305

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C14-H19-Cl2-N3-O4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

REFERENCE :: CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 2,121,1981

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 15100 ug/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

REFERENCE :: CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 2,121,1981

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