5-(chloromethyl)-1,3-dimethyl-1H-1,2,4-triazole

HCID 13103100

Notes Reactions

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Basic information

CAS: 84804-69-3
Standard SMILES: Cc1nc(CCl)n(C)n1
InChIKey: PDVSHBCOEGYRQB-UHFFFAOYSA-N
Molecular formula: C5H8ClN3
Average molar mass: 145.59 g/mol
Monoisotopic mass: 145.040675

Names & identifiers

Preferred name: 5-(chloromethyl)-1,3-dimethyl-1H-1,2,4-triazole
IUPAC: 5-(chloromethyl)-1,3-dimethyl-1,2,4-triazole
English name: 5-Chloromethyl-1,3-dimethyl-1H-[1,2,4]triazole
Molecular formula: C5H8ClN3
Molecular weight: 145.59

Names & synonyms

5-(CHLOROMETHYL)-1,3-DIMETHYL-1H-1,2,4-TRIAZOLE84804-69-3DTXSID80518234RefChem:300315DTXCID30469040891-612-45-(chloromethyl)-1,3-dimethyl-1,2,4-triazoleMFCD13806380SCHEMBL3988225TQP0652PDVSHBCOEGYRQB-UHFFFAOYSA-NJDA80469

Show more names

5-Chloromethyl-1,3-dimethyl-1H-[1,2,4]triazole1H-1,2,4-Triazole, 5-(chloromethyl)-1,3-dimethyl-

AKOS016003308AT12165BS-36106SY455658DB-014533EN300-41582F2248795-(Chloromethyl)-1,3-dimethyl-1H-1,2,4-triazole, AldrichCPR

Database identifiers

CAS: 84804-69-3
PubChem CID: 13103100
DTXSID: DTXSID80518234
EC Number: 891-612-4

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 98

Physicochemical properties

storage temp.: 2 · 2-8°C
form: solid
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H335-H314
Precautionary statements: 260 · P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501
Hazard Codes: Xn
Risk Statements: 22 · 22

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1C (50%)；STOT SE 3 (50%)

Safety data

risk_code: 22
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xn
Hazard statements: H302-H335-H314
Precautionary statements: P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501