Basic information
- CAS
98069-56-8- Standard SMILES
NNC(=O)C1CCC1- InChIKey
KYUUPPKLZSVGMG-UHFFFAOYSA-N- Molecular formula
- C5H10N2O
- Average molar mass
- 114.15 g/mol
- Monoisotopic mass
- 114.07931294
Names & identifiers
- Preferred name
- Cyclobutanecarbohydrazide
- IUPAC
- cyclobutanecarbohydrazide
- English name
- Cyclobutanecarboxylic acid, hydrazide (6CI, 9CI)
- Molecular formula
- C5H10N2O
- Molecular weight
- 114.15
Names & synonyms
cyclobutanecarbohydrazide98069-56-8DTXSID40359544RefChem:334914DTXCID80310598694-571-9Cyclobutanecarboxylic acid hydrazideCyclobutanecarboxylic acid, hydrazideMFCD03129354Oprea1_092053Oprea1_494383Cyclobutanecarbohydrazide, AldrichCPR
Show more names
cyclobutanecarbohydrazide(SALTDATA: FREE)
BBL037010STK040018AKOS000138133CS-0055183Cyclobutanecarboxylic acid, hydrazide (6CI, 9CI)AM20070630BB 0240936FT-0727016
Database identifiers
- CAS
98069-56-8- PubChem CID
- 969366
- DTXSID
DTXSID40359544- EC Number
- 694-571-9
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 98.6
Physicochemical properties
- Melting point
- 79 · 79-80 °C
- Boiling point
- 288.6 · 288.6±7.0 °C(Predicted)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 13.6 · 13.60±0.20(Predicted)
- form
- solid
- InChI
- 1S/C5H10N2O/c6-7-5(8)4-2-1-3-4/h4H,1-3,6H2,(H,7,8)
- InChIKey
- KYUUPPKLZSVGMG-UHFFFAOYSA-N
- SMILES
- O=C(C1CCC1)NN
- UNSPSC Code
- 12352125 · 12352125
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- WGK Germany
- 3 · 3
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 Oral · Acute Tox. 3 Oral
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 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.5%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers30 total
上海凛南医药科技有限公司15900633975;13262632028 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海美迪西生物医药股份有限公司021-50822001 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
Aladdin Scientific[email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
上海书吉生物科技有限公司021-021-62200788 15000569291 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
山东碳氢生物化工有限公司13060081947 13060081947 · [email protected]
Related reactions
7 records
Compound notes
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