Basic information
- CAS
2138-98-9- Standard SMILES
Nc1nnc(-c2ccccc2Cl)o1- InChIKey
VVKFAXPORKOLTL-UHFFFAOYSA-N- Molecular formula
- C8H6ClN3O
- Average molar mass
- 195.6 g/mol
- Monoisotopic mass
- 195.0199395
Names & identifiers
- Preferred name
- 2-Amino-5-(2-chlorophenyl)-1,3,4-oxadiazole
- IUPAC
- 5-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine
- English name
- 2-Amino-5-(2-chlorophenyl)-1,3,4-oxadiazole
- Molecular formula
- C8H6ClN3O
- Molecular weight
- 195.61
Names & synonyms
2-Amino-5-(2-chlorophenyl)-1,3,4-oxadiazoleRefChem:464440624-405-25-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine2138-98-9F2146-0066MFCD00469199SCHEMBL1143488CHEMBL2426229SMSSF-0017427ALBB-001974STK399862
Show more names
-1,3,4-oxadiazol-2-amine|||2-AMINO-5-(2-CHLOROPHENYL)-1,3,4-OXADIA&5-(2-Chorophenyl)-1,3,4-oxadiazole-2-amine5-(4-CHLOROPHENYL)-1,3,4-OXADIAZOL-2-AMINE2-AMINO-5-(4-CHLOROPHENYL)-1,3,4-OXADIAZOLE2-amino-5-(o-chlorophenyl)-1,3,4-oxadiazole1,3,4-Oxadiazol-2-amine, 5-(2-chlorophenyl)-5-(4-CHLORO-PHENYL)-[1,3,4]OXADIAZOL-2-YLAMINE
AKOS000160796CCG-276008AS-43472ST506006455-(o-chlorophenyl)-1,3,4-oxadiazol-2-ylamine5-(2-chlorophenyl)-1,3,4-oxadiazole-2-ylamineF3651392-Amino-5-(2-chlorophenyl)-1,3,4-oxadiazole, 97%
Database identifiers
- CAS
2138-98-9- PubChem CID
- 3694323
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 165 · 165-169 ºC
- Boiling point
- 368.644 · 368.644±44.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.415 · 1.415±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.968 · 1.968±0.12(predicted)
- form
- solid
- InChI
- 1S/C8H6ClN3O/c9-6-4-2-1-3-5(6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
- InChIKey
- VVKFAXPORKOLTL-UHFFFAOYSA-N
- SMILES
- Nc1nnc(o1)-c2ccccc2Cl
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P310-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- 2811
- risk_code
- 22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P301+P310-P305+P351+P338
Chemistry & industry
Applications
Uses5-(2-Chlorophenyl)-1,3,4-Oxadiazol-2-Amine was used as a reactant in the synthesis of 3-(1,3,4-oxadiazol-2-yl)quinazolin-4(3H)-ones which was studied for their antimicrobial activity against various bacteria and fungi.
Suppliers30 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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