5,6-dimethyl-1H-benzotriazole

HCID 77849

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Basic information

CAS: 4184-79-6
Standard SMILES: Cc1cc2n[nH]nc2cc1C
InChIKey: MVPKIPGHRNIOPT-UHFFFAOYSA-N
Molecular formula: C8H9N3
Average molar mass: 147.18 g/mol
Monoisotopic mass: 147.0796473

Names & identifiers

Preferred name: 5,6-dimethyl-1H-benzotriazole
IUPAC: 5,6-dimethyl-2H-benzotriazole
English name: 5,6-Dimethyl-1,2,3-benzotriazole hydrate
Molecular formula: C8H9N3
Molecular weight: 147.18

Names & synonyms

4184-79-65,6-Dimethyl-1H-benzotriazole5,6-DimethylbenzotriazoleEINECS 224-058-3AI3-521701H-Benzotriazole, 5,6-dimethyl-DTXSID70881186NSC 62005RefChem:101201DTXCID701022470224-058-3MVPKIPGHRNIOPT-UHFFFAOYSA-N

Show more names

TIMTEC-BB SBB0040935,6-dimethylazimidobenzene5,6-DIMETHYLAZIMIDOBENZENE HYDRATE5,6-dimethyl-2H-benzotriazole hydrate

5,6-Dimethyl-1H-benzo[d][1,2,3]triazole5,6-Dimethyl-1H-1,2,3-benzotriazoleMFCD000057035,6-dimethyl-2H-benzotriazole5,6-DiMethyl-1,2,3-benzotriazole Hydrate5,6-Dimethyl-1,2,3-benzotriazole5,6-DIMETHYL-1,2,3-BENZOTRIAZOLEHYDRATESCHEMBL271074

Database identifiers

CAS: 4184-79-6
PubChem CID: 77849
DTXSID: DTXSID70881186
EC Number: 224-058-3
Nikkaji: J1.971.841G、J224.983I

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 132

Experimental & physicochemical properties

Collision Cross Section131.25 Å² [M+H]+

Physicochemical properties

Melting point: 152 · 152-156 °C(lit.)
Boiling point: 373.5 · 373.5±11.0 °C(Predicted)
Density: 1.217 · 1.217±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 8.92 · 8.92±0.40(Predicted)
form: Crystalline Powder
color: Yellow to brown
BRN: 122933 · 122933
InChI: InChI=1S/C8H9N3/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3,(H,9,10,11)
InChIKey: MVPKIPGHRNIOPT-UHFFFAOYSA-N
SMILES: N1C2=CC(C)=C(C)C=C2N=N1
CAS DataBase Reference: 4184 · 4184-79-6(CAS DataBase Reference)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 29339980
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 1 item

Uses5,6-Dimethyl-1,2,3-benzotriazoleHydrate (cas# 4184-79-6) is a benzotriazole derivatives. Benzotriazoles are mainly used as corrosion inhibitors, and are widely distributed in the environment. Benzotriazoles derivatives are found in plastics, dishwasher detergents, dry cleaning equipment, and de-icing/anti-icing fluids.

Suppliers57 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

武汉布林科技有限公司3456065315 13260619011 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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Compound notes

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