Basic information
- CAS
10327-87-4- Standard SMILES
Clc1n[nH]c(Cl)n1- InChIKey
JNTFFNKMQMJJQZ-UHFFFAOYSA-N- Molecular formula
- C2HCl2N3
- Average molar mass
- 137.95 g/mol
- Monoisotopic mass
- 136.9547524
Names & identifiers
- Preferred name
- 3,5-dichloro-1H-1,2,4-triazole
- IUPAC
- 3,5-dichloro-1H-1,2,4-triazole
- English name
- 3,5-dichloro-1H-1,2,4-triazole(SALTDATA: FREE)
- Molecular formula
- C2HCl2N3
- Molecular weight
- 137.96
Names & synonyms
3,5-Dichloro-1H-1,2,4-triazoleRefChem:486690897-582-910327-87-4s-Triazole, 3,5-dichloro-1H-1,2,4-Triazole, 3,5-dichloro-3,5-Dichloro-1,2,4-triazoleMFCD014219591H-1,2,4-Triazole,3,5-dichloro-3,5-dichloro-1H-1,2,4-triazole(SALTDATA: FREE)3,5-dichloro-4H-1,2,4-triazoleC2HCl2N3
Show more names
sO|DEbHaqBSKfsSP@1H-1,2,4-Triazole, 3,5-dichloro- (9CI)3,5-Dichloro-1H-1,2,4-triazole3,5-dichloro-1H-1,2,4-triazole
NSC 155827DEbHaqBSKfsSP@NSC155827s-Triazole,5-dichloro-SCHEMBL193263SCHEMBL3691794SCHEMBL6364533DTXSID70145735
Database identifiers
- CAS
10327-87-4- PubChem CID
- 98635
- DTXSID
DTXSID70145735- EC Number
- 897-582-9
- Nikkaji
- J49.164K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 68
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 148 °C · 148 °C
- Boiling point
- 330.3 · 330.3±25.0 °C(Predicted)
- Density
- 1.766 · 1.766±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 5.74 · 5.74±0.40(Predicted)
- Appearance
- White to off-white Solid
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers9 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京科易通达科技发展有限公司17743531240 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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