Cas no 3085-99-2 (Benzoic acid,2-[bis(2-chloroethyl)amino]-)
![Benzoic acid,2-[bis(2-chloroethyl)amino]- structure](https://ossimg.kuujia.com/scimg/3500/3085-99-2x500.png)
3085-99-2 structure
Product Name:Benzoic acid,2-[bis(2-chloroethyl)amino]-
CAS No:3085-99-2
MF:C11H13Cl2NO2
MW:262.132421255112
CID:314081
PubChem ID:18333
Update Time:2025-04-19
Benzoic acid,2-[bis(2-chloroethyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-[bis(2-chloroethyl)amino]-
- 2-[bis(2-chloroethyl)amino]benzoic acid
- 2-(Bis(2-chloroethyl)amino)benzoic acid
- 2-[N,N-bis(2-chloroethyl)amino]benzoic acid
- ANTHRANILIC ACID, N,N
- Benzoic acid, 2-(bis(2-chloroethyl)amino)-
- BRN 2809059
- N,N-Bis-(2-chlor-aethyl)-anthranilsaeure
- N,N-bis-(2-chloro-ethyl)-anthranilic acid
- N,N-Bis(2-chloroethyl)anthranilic acid
- NSC260455
- o-< Bis-(2-Chlor-aethyl)-amino> -benzoesaeure
- o-N,N-bis(2-chloroethyl)aminobenzoic acid
- Anthranilic acid,N-bis(2-chloroethyl)-
- DTXSID50184869
- NSC-260455
- NSC 260455
- ST5N6MSH3H
- ANTHRANILIC ACID, N,N-BIS(2-CHLOROETHYL)-
- N,N-bis(2-chloroethyl)amino benzoic acid
- SCHEMBL7476350
- Benzoic acid, 2-[bis(2-chloroethyl)amino]-
- UXUKWLCXNDMFIX-UHFFFAOYSA-N
- 3085-99-2
-
- Inchi： 1S/C11H13Cl2NO2/c12-5-7-14(8-6-13)10-4-2-1-3-9(10)11(15)16/h1-4H,5-8H2,(H,15,16)
- InChI Key： UXUKWLCXNDMFIX-UHFFFAOYSA-N
- SMILES： ClCCN(CCCl)C1C=CC=CC=1C(=O)O
Computed Properties
- Exact Mass: 261.03249
- Monoisotopic Mass: 261.032334
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 40.5
Experimental Properties
- Density: 1.339
- Boiling Point: 403.2°Cat760mmHg
- Flash Point: 197.6°C
- Refractive Index: 1.594
- PSA: 40.54
- LogP: 2.66880
Benzoic acid,2-[bis(2-chloroethyl)amino]- Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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