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Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Pharmaceutical  /  Daily Chemicals  /  Organic Intermediates
Benzonitrile, 4-[3-(2-chloroethyl)-2-triazen-1-yl]- structure
Benzonitrile, 4-[3-(2-chloroethyl)-2-triazen-1-yl]- structure

Benzonitrile, 4-[3-(2-chloroethyl)-2-triazen-1-yl]-

Iupac Name:(1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CAS No.:68489-09-8
Molecular Weight:289.416
1. Names and Identifiers
1.1 Name
Benzonitrile, 4-[3-(2-chloroethyl)-2-triazen-1-yl]-
1.2 Synonyms

4-[(2e)-3-(2-chloroethyl)triaz-2-en-1-yl]benzonitrile 4-[2-(2-chloroethylimino)hydrazinyl]benzonitrile 4-[3-(2-chloroethyl)triaz-2-en-1-yl]benzonitrile 78604-19-0 AC1L714T AKOS022649598 Benzonitrile, 4-[3-(2-chloroethyl)-1-triazenyl]- (9CI) Benzonitrile, 4-[3-(2-chloroethyl)-2-triazen-1-yl]- CTK2I1049 DTXSID80316499 LP110288 nsc303838

1.3 CAS No.
68489-09-8
1.4 CID
11266244
1.5 Molecular Formula
C25H22N4O2S2 (isomer)
1.6 Inchi
InChI=1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)18(20)19-14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)/t13-,16+,17-/m1/s1
1.7 InChkey
HNSGVPAAXJJOPQ-XOKHGSTOSA-N
1.8 Canonical Smiles
CC1CCC(C(C1)C(=O)NC2=CC=C(C=C2)OC)C(C)C
1.9 Isomers Smiles
C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)OC)C(C)C
2. 3D Conformer
3. Properties
3.1 Density
1.261
3.2 Boiling Point
626.6°Cat760mmHg
3.3 Flash Point
179°C
4. Safety and Handling
4.1 Risk Statements
50
4.2 Safety Statements
53-61
4.3 Transport
UN 3077 9 / PGIII
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

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