Cas no 587-01-9 (2-Propanol,1,3-dichloro-, 2-carbamate)
587-01-9 structure
Product Name:2-Propanol,1,3-dichloro-, 2-carbamate
CAS No:587-01-9
MF:C4H7Cl2NO2
MW:172.009879350662
CID:375918
PubChem ID:68516
Update Time:2025-04-19
2-Propanol,1,3-dichloro-, 2-carbamate Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanol,1,3-dichloro-, 2-carbamate
- 1,3-dichloropropan-2-yl carbamate
- 2-chloro-1-(chloromethyl)ethyl carbamate
- 1,3-Dichlor-2-carbamoyloxy-propan
- 2-Carbamoyloxy-1,3-dichlor-propan
- AC1L29WG
- AC1Q3TX6
- AR-1B6875
- CTK5A8726
- EINECS 209-593-2
- KST-1B6129
- NSC12126
- 9VC26H4S45
- 587-01-9
- NSC-12126
- NSC 12126
- 2-Propanol, 1,3-dichloro-, 2-carbamate
- FT-0698688
- Etocas 35
- DTXSID40207394
- NS00034001
- JMNCUXPHXKHBPY-UHFFFAOYSA-N
- UNII-9VC26H4S45
- SCHEMBL14783931
-
- Inchi： 1S/C4H7Cl2NO2/c5-1-3(2-6)9-4(7)8/h3H,1-2H2,(H2,7,8)
- InChI Key： JMNCUXPHXKHBPY-UHFFFAOYSA-N
- SMILES： ClCC(CCl)OC(N)=O
Computed Properties
- Exact Mass: 170.98551
- Monoisotopic Mass: 170.985
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 94.6
- 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
- Topological Polar Surface Area: 52.3A^2
- XLogP3: 0.8
Experimental Properties
- Density: 1.377
- Boiling Point: 305.7°Cat760mmHg
- Flash Point: 138.7°C
- Refractive Index: 1.481
- PSA: 52.32
- LogP: 1.62820
2-Propanol,1,3-dichloro-, 2-carbamate Related Literature
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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