Basic information
- CAS
110-20-3- Standard SMILES
CC(C)=NNC(N)=O- InChIKey
HQDAJGNZGNZGCO-UHFFFAOYSA-N- Molecular formula
- C4H9N3O
- Average molar mass
- 115.13 g/mol
- Monoisotopic mass
- 115.07456192
Names & identifiers
- Preferred name
- Acetone semicarbazone
- IUPAC
- (propan-2-ylideneamino)urea
- English name
- ACETONE SEMICARBAZONE
- Molecular formula
- C4H9N3O
- Molecular weight
- 115.13
Names & synonyms
Acetone semicarbazoneAcetonesemicarbazone2-Propanone, semicarbazoneHydrazinecarboxamide, 2-(1-methylethylidene)-NSC 456EINECS 203-746-7BRN 0970110AI3-00507DTXSID90593832-(1-Methylethylidene)hydrazinecarboxamideRefChem:552388DTXCID2033156
Show more names
AURORA KA-350Acetone semicarbazonAcetone Semecarbazone2-Propanone scMicarbazoneAcetone Semicarbazone >2-Propanone semicarbazonepropan-2-one seMicarbazone
203-746-7110-20-32-(Propan-2-ylidene)hydrazinecarboxamideAcetone, semicarbazone(propan-2-ylideneamino)urea(isopropylideneamino)ureaMFCD00014785[(propan-2-ylidene)amino]urea
Database identifiers
- CAS
110-20-3- PubChem CID
- 66965
- DTXSID
DTXSID9059383- EC Number
- 203-746-7
- Nikkaji
- J773K
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Melting point
- 189 · 189-190°C
- Boiling point
- 215.41 °C · 215.41°C (rough estimate)
- Density
- 1.1906 · 1.1906 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- pka
- 12.31 · 12.31±0.46(Predicted)
- color
- White to Light yellow
- Merck
- 14 · 14,8444
- BRN
- 970110 · 970110
- CAS DataBase Reference
- 110 · 110-20-3(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Hydrazinecarboxamide, 2-(1-methylethylidene)- (110-20-3)
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Warning
- Hazard statements
- 301 · H301-H302
- Precautionary statements
- 264 · P264-P270-P301+P312+P330-P501-P301+P310a-P321-P405-P501a
- Risk Statements
- 22 · 22
- Safety Statements
- 22 · 22-36/37-36
- RTECS
- 7175000 · AL7175000
- TSCA
- TSCA listed
- HS Code
- 38220090 · 38220090
- Toxicity
- 50 ivn-mus: · LD50 ivn-mus: 90 mg/kg JPETAB 122,110,58
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 (97.7%): 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 44 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.7%)
Safety data
- tsca
- TSCA listed
- rtecs
- AL7175000
- hs_code
- 38220090
- Toxicity
- LD50 ivn-mus: 90 mg/kg JPETAB 122,110,58
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- safety_code
- 22-36/37-36
- Hazard statements
- H301-H302
- Precautionary statements
- P264-P270-P301+P312+P330-P501-P301+P310a-P321-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHydrazinecarboxamide, 2-(1-methylethylidene)-: INACTIVE
Applications
UsesAcetone Semicarbazone is used as the starting material to synthesize Isazophos which is a pesticide.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [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]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
山东科立康药业有限公司053-88113608 17854192669 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
广东大小化工有限公司171603 18666171603 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
天津希恩思生化科技有限公司400 638 7771 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
重庆星灿医药科技有限公司13594048950 19923294409 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
湖南华腾制药有限公司400-8592883 15367835770 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118078 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
桦特昇生物科技（武汉）有限公司027-59207879 1972026995 18140587686 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
Related reactions
3 records
Compound notes
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