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101-27-9,MFCD00045297
Catalog No.:AA0003CT
101-27-9 | Carbamic acid, N-(3-chlorophenyl)-, 4-chloro-2-butyn-1-yl ester
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Technical Information
Catalog Number:
AA0003CT
Chemical Name:
Carbamic acid, N-(3-chlorophenyl)-, 4-chloro-2-butyn-1-yl ester
CAS Number:
101-27-9
Molecular Formula:
C11H9Cl2NO2
Molecular Weight:
258.1007
MDL Number:
MFCD00045297
IUPAC Name:
4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate
InChI:
InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)
InChI Key:
MCOQHIWZJUDQIC-UHFFFAOYSA-N
SMILES:
ClCC#CCOC(=O)Nc1cccc(c1)Cl
EC Number:
202-930-4
UNII:
33306K781F
NSC Number:
29168
Properties
Computed Properties
 
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.001g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.098g/mol
Monoisotopic Mass:
257.001g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
barban 
Carbyne 
Karbin 
C19059 
C-16049 
J-000356 
I14-17755 
101555-42-4 
C11H9Cl2NO2 
C11-H9-Cl2-N-O2 
CID7551 
3-nitro-N-(3-nitrophenyl)benzamide 
CB10164 
Neoban 
4-12-00-01149 (Beilstein Handbook Reference) 
CBN 
N-(3-Chloro phenyl) carbamate de 4-chloro 2-butynyle 
Naphthalene, 1,2,3,4,4a,5,6,7-octahydro-8-methoxy- 
Carbanilic acid, m-chloro-, 4-chloro-2-butynyl ester (8CI) 
101-24-6 
Carbyne (herbicide) 
4-Chlorobut-2-ynyl 3-chlorophenylcarbamate 
Fisons B25 
4-Chloro-2-butynyl m-chlorocarbanilate 
4-Chloro-2-butynyl 3-chlorocarbanilate 
Caswell No. 068 
CS-847 
Barbane [ISO-French] 
BARBAN 
2-Butynyl 4-chloro-m-chlorocarbanilate 
4-Chlorobut-2-ynyl-m-chlorocarbanilate 
4-Chloro-2-butynyl N-(3-chlorophenyl)carbamate 
4-chlorobut-2-yn-1-yl (3-chlorophenyl)carbamate 
Carbamic acid, (3-chlorophenyl)-, 4-chloro-2-butynyl ester 
Chloro-2-butynyl m-chlorocarbamate 
A 980 
C-847 
S 847 
Barban [ANSI:BSI:ISO] 
101-27-9 
NSC 29168 
4-Chloro-2-butynylm-chlorocarbanilate 
2-Butynyl-4-chloro-m-chlorocarbanilate 
m-Chlorocarbanilic acid, 4-chloro-2-butynyl ester 
A980 
S847 
4-Chloro-2-butynyl meta-chlorocarbanilate 
HSDB 1514 
UNII-33306K781F 
EINECS 202-930-4 
Barbamate 
2-Butyn-1-ol, 4-chloro-, m-chlorocarbanilate 
RCRA waste no. U280 
EPA Pesticide Chemical Code 017601 
BRN 2376181 
(4-Chlor-but-2-in-yl)-N-(3-chlor-phenyl)-carbamat 
(4-Chloor-but-2-yn-yl)-N-(3-chloor-fenyl)-carbamaat 
(4-Cloro-but-2-in-il)-N-(3-cloro-fenil)-carbammato 
(3-Chlorophenyl)carbamic acid 4-chloro-2-butynyl ester 
AI3-28201 
A-980 
Barbane 
S-847 
CHEBI:33421 
Carbanilic acid, m-chloro-, 4-chloro-2-butynyl ester 
4-Chloro-2-butynyl-m-chlorocarbanilate 
(4-Chloor-but-2-yn-yl)-N-(3-chloor-fenyl)-carbamaat [Dutch] 
(4-Chlor-but-2-in-yl)-N-(3-chlor-phenyl)-carbamat [German] 
(4-Cloro-but-2-in-il)-N-(3-cloro-fenil)-carbammato [Italian] 
N-(3-Chloro phenyl) carbamate de 4-chloro 2 butynyle [French] 
4-Chloro-2-butynyl 3-chlorophenylcarbamate 
4-Chloro-2-butynyl m-chlorophenylcarbamate 
Carbine 
33306K781F 
Barban, analytical standard 
4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate 
N-(3-Chloro phenyl)carbamate de 4-chloro 2-butynyle 
3-CHLOROCARBANILIC ACID 4-CHLORO-2-BUTYNYL ESTER 
N-(m-chlorophenyl)carbamic acid,4-chloro-2-butynyl ester 
Barbanate 
Caryne 
AC1L1P0P 
WLN: G2UU2OVMR CG 
Carbyne 
DSSTox_CID_21617 
DSSTox_RID_79788 
DSSTox_GSID_41617 
SCHEMBL59626 
4-Chloro-2-butynyl m-chlorophenylcarbamate (8CI) 
N-(3-Chloro phenyl) carbamate de 4-chloro 2 butynyle 
CHEMBL1570161 
DTXSID3041617 
CTK6H4434 
MCOQHIWZJUDQIC-UHFFFAOYSA-N 
Chlorinat 
2-Butyn-1-ol, m-chlorocarbanilate 
NSC29168 
ZINC1652009 
Tox21_300669 
0361AA 
Carbamic acid, (3-chlorophenyl)-, 4-chloro-2-butynyl ester (9CI) 
NSC-29168 
AKOS015904119 
Carbamic acid, 4-chloro-2-butynyl ester 
NCGC00166272-01 
Carbin 
NCGC00166272-02 
NCGC00254577-01 
AJ-28813 
CAS-101-27-9 
CC-14843 
CJ-26730 
LS-50978 
Carbanilic acid, 4-chloro-2-butynyl ester 
FT-0631535 
4-Chloro-2-butynyl 3-chlorophenylcarbamate # 
Literature
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