Benzoic acid,3-[bis(2-chloroethyl)amino]-

Modify Date: 2025-09-27 21:01:43

Benzoic acid,3-[bis(2-chloroethyl)amino]- structure	Common Name	Benzoic acid,3-[bis(2-chloroethyl)amino]-
	CAS Number	3085-98-1	Molecular Weight	262.13200
	Density	1.339g/cm3	Boiling Point	433.3ºC at 760 mmHg
	Molecular Formula	C₁₁H₁₃Cl₂NO₂	Melting Point	N/A
	MSDS	N/A	Flash Point	215.9ºC

Name	3-[bis(2-chloroethyl)amino]benzoic acid

Density	1.339g/cm3
Boiling Point	433.3ºC at 760 mmHg
Molecular Formula	C₁₁H₁₃Cl₂NO₂
Molecular Weight	262.13200
Flash Point	215.9ºC
Exact Mass	261.03200
PSA	40.54000
LogP	2.66880
Index of Refraction	1.594
InChIKey	WVXYNWIVVDXMJC-UHFFFAOYSA-N
SMILES	O=C(O)c1cccc(N(CCCl)CCCl)c1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DG4416000

CHEMICAL NAME :: Benzoic acid, m-(bis(2-chloroethyl)amino)-

CAS REGISTRY NUMBER :: 3085-98-1

BEILSTEIN REFERENCE NO. :: 2810541

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C11-H13-Cl2-N-O2

MOLECULAR WEIGHT :: 262.15

WISWESSER LINE NOTATION :: QVR CN2G2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 110 mg/kg

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

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Human Lymphocyte

DOSE/DURATION :: 600 nmol/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 346,129,1995

HS Code	2922499990

HS Code	2922499990
Summary	HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

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Product Name: Palmitic acid
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Benzoic acid,3-[bis(2-chloroethyl)amino]-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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