Basic information
- CAS
5351-24-6- Standard SMILES
CC(C)c1ccc(C(=O)NN)cc1- InChIKey
ZRVXDEFJKAAGGH-UHFFFAOYSA-N- Molecular formula
- C10H14N2O
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.11061307
Names & identifiers
- Preferred name
- 4-Isopropylbenzohydrazide
- IUPAC
- 4-propan-2-ylbenzohydrazide
- English name
- 4-Isopropyl-benzoic acid hydrazide
- Molecular formula
- C10H14N2O
- Molecular weight
- 178.23
Names & synonyms
4-isopropylbenzohydrazide5351-24-64-Isopropyl-benzoic acid hydrazide4-propan-2-ylbenzohydrazideMFCD008507664-(propan-2-yl)benzohydrazideNSC6484-isopropylbenzhydrazideBenzoic acid,4-(1-methylethyl)-, hydrazideOprea1_721159SCHEMBL6243394-(1-methylethyl)benzohydrazide
Show more names
IVK/6213735AKOS B014968BUTTPARK 87\03-80CHEMBRDG-BB 3014968ART-CHEM-BB B014968P-ISOPROPYLBENZOIC ACID, HYDRAZIDE
DTXSID60277074NSC-648ZRVXDEFJKAAGGH-UHFFFAOYSA-N4-(methylethyl)benzenecarbohydrazideALBB-002478STK400330AKOS000166352SB86047
Database identifiers
- CAS
5351-24-6- PubChem CID
- 219400
- DTXSID
DTXSID60277074- EC Number
- 110-235-1
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 91 · 91-92 °C(Solv: benzene (71-43-2); hexane (110-54-3))
- Density
- 1.067 · 1.067±0.06 g/cm3(Predicted)
- pka
- 12.77 · 12.77±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2928009090 · 2928009090
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+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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
- hs_code
- 2928009090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Isopropyl-benzoic Acid Hydrazide is a useful chemical reagent.Also, it is used in the synthesis of 2-Chloropyridine derivative which exhibits the most potent activity against gastric cancer cell SGC-7901.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers17 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
济南利恒生物科技有限公司0531-18763987518 18763987518 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
10 records
Compound notes
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