Basic information
- Standard SMILES
Cc1ccc(C(=O)O)cc1NN.Cl- InChIKey
BJDSGGGWVYBYLB-UHFFFAOYSA-N- Molecular formula
- C8H11ClN2O2
- Average molar mass
- 202.64 g/mol
- Monoisotopic mass
- 202.05090527
Names & identifiers
- Preferred name
- 3-Hydrazino-4-methylbenzoic acid hydrochloride
- IUPAC
- 3-hydrazinyl-4-methylbenzoic acid;hydrochloride
- English name
- 3-Hydrazino-4-methylbenzoic acid hydrochloride
- Molecular formula
- C8H10N2O2
- Molecular weight
- 166.18
Names & synonyms
61100-70-73-Hydrazino-4-methylbenzoic acid hydrochloride3-hydrazinyl-4-methylbenzoic acid hydrochloride184163-50-63-hydrazinyl-4-methylbenzoic acid;hydrochloride3-HYDRAZINYL-4-METHYLBENZOIC ACID,HCLSCHEMBL1416836DTXSID80718590BJDSGGGWVYBYLB-UHFFFAOYSA-NMFCD11870757AKOS027328048GS-5472
Show more names
Benzoic acid, 3-hydrazinyl-4-methyl-
SB775543-Hydrazino-4-methylbenzoicacidhydrochlorideDB-1940923-hydrazino-4-methyl-benzoic acid hydrochloride3-hydrazino-4-methyl-benzoic acid;hydrochlorideH100793-Hydrazinyl-4-methylbenzoic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
61100-70-7- PubChem CID
- 56777508
- DTXSID
DTXSID80718590
Properties
Computed structural properties
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 365.7 · 365.7±35.0 °C(Predicted)
- Density
- 1.33 · 1.330±0.06 g/cm3(Predicted)
- pka
- 4.13 · 4.13±0.10(Predicted)
- HS Code
- 2928009090 · 2928009090
Safety & regulation
Safety data
- hs_code
- 2928009090
Chemistry & industry
Suppliers5 total
深圳法默科技有限公司0755-86648230 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
26 records
Linked notes
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