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

Modify Date: 2025-08-29 15:26:58

3,5-bis[(2-chloroethyl-nitroso-carbamoyl)amino]benzoic acid structure	Common Name	3,5-bis[(2-chloroethyl-nitroso-carbamoyl)amino]benzoic acid
	CAS Number	13907-61-4	Molecular Weight	421.19300
	Density	1.64g/cm3	Boiling Point	N/A
	Molecular Formula	C₁₃H₁₄Cl₂N₆O₆	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

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

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
InChIKey	RRTCCTJFLQKSPL-UHFFFAOYSA-N
SMILES	O=NN(CCCl)C(=O)Nc1cc(NC(=O)N(CCCl)N=O)cc(C(=O)O)c1

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

HS Code	2924299090

3,5-Diaminobenz...

CAS#:535-87-5

3,5-bis[(2-chlo...

CAS#:13907-61-4

Literature: Johnston; McCaleb; Opliger; Montgomery Journal of medicinal chemistry, 1966 , vol. 9, # 6 p. 892 - 911

Benzoicacid, 3,...

CAS#:13908-68-4

3,5-bis[(2-chlo...

CAS#:13907-61-4

Literature: Johnston; McCaleb; Opliger; Montgomery Journal of medicinal chemistry, 1966 , vol. 9, # 6 p. 892 - 911

Precursor 2
CAS#:535-87-5 3,5-Diaminobenz... CAS#:13908-68-4 Benzoicacid, 3,...
DownStream 0

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%

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

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Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.