Basic information
- CAS
147140-65-6- Standard SMILES
Cc1ccccc1N=C(N)N=C(N)N- InChIKey
SQZCAOHYQSOZCE-UHFFFAOYSA-N- Molecular formula
- C9H13N5
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.11709544
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- o-Tolylbiguanide
- IUPAC
- 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
- English name
- o-Tolyl biguanide
- Molecular formula
- C9H13N5
- Molecular weight
- 191.23
Names & synonyms
93-69-6o-Tolylbiguanide1-o-Tolylbiguanide2-TolylbiguanideAliantSopanoxN-(2-Methylphenyl)imidodicarbonimidic diamideImidodicarbonimidic diamide, N-(2-methylphenyl)-5T9Z06LCV4NSC164906ortho-tolylbiguanideRefChem:483811
Show more names
o-tolyleponocbnoccelerbgvulkacit1000
202-268-61-(o-Tolyl)biguanideo-Tolyl biguanideo-TolyldiguanideVulkacit 1000Nocceler BGEponoc B1-carbamimidamido-N-(2-methylphenyl)methanimidamide
Database identifiers
- CAS
147140-65-6、93-69-6- PubChem CID
- 7155
- DTXSID
DTXSID3042051- ChEMBL
CHEMBL3183356- UNII
- 5T9Z06LCV4
- EC Number
- 202-268-6
- Nikkaji
- J64.492G
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Experimental & physicochemical properties
CosmeticsAntioxidant
Collision Cross Section148.5 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3042051]
Physicochemical properties
- Melting point
- 143 · 143-145 °C(lit.)
- Boiling point
- 316.98 °C · 316.98°C (rough estimate)
- Density
- 1.079 · 1.0790 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.638 · 1.6380 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Slightly soluble in water
- form
- powder to crystal
- color
- White to Almost white
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
This chemical does not meet GHS hazard criteria for 7.5% (27 of 362) of reports.
Danger
H302+H332 (12.2%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 362 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Imidodicarbonimidic diamide, N-(2-methylphenyl)-
Chemical: Imidodicarbonimidic diamide, N-(methylphenyl)-
REACH registered substance: 1-o-tolylbiguanide (EC: 202-268-6)
Imidodicarbonimidic diamide, N-(2-methylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (39%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- DU2800000
- hs_code
- 29252900
- risk_code
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Antioxidant
General Manufacturing InformationImidodicarbonimidic diamide, N-(2-methylphenyl)-: ACTIVE
Applications
UsesAntioxidant for soaps produced from animal or vegetable oil.
Uses1-(o-Tolyl)biguanide was used as a ligand in the synthesis of new vanadyl complexes with the formula [VOL2].xH2O (HL=1-(o-tolyl)biguanide, x=0.5).
Suppliers91 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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