Basic information
- Standard SMILES
Nc1cccc(C=O)c1- InChIKey
SIXYIEWSUKAOEN-UHFFFAOYSA-N- Molecular formula
- C7H7NO
- Average molar mass
- 121.14 g/mol
- Monoisotopic mass
- 121.05276384
Overview
See also: 3-Aminobenzaldehyde polymer (annotation moved to).
Names & identifiers
- Preferred name
- Benzaldehyde, 3-amino-
- IUPAC
- 3-aminobenzaldehyde
- English name
- 3-Aminobenzaldehyde
- Molecular formula
- C7H7NO
- Molecular weight
- 121.14
Names & synonyms
3-Aminobenzaldehyde1709-44-0Benzaldehyde, 3-amino-3-FormylanilineBenzaldehyde, m-amino-NSC 36957EINECS 216-968-4DTXSID0061901RefChem:117109Benzaldehyde, m-amino-(8CI)DTXCID4035469m-Aminobenzaldehyde
Show more names
3-AMINOBENALDEHYDE3-amino-benzaldehydBenzaldehyde,3-amino-META-AMINOBENZALDEHYDEPOLY(3-AMINOBENZALDEHYDE)M-AMINOBENZALDEHYDE POLYMER
29159-23-73-amino-benzaldehydem-AminobenzaldehydMFCD00147530Erlotinib Impurity 1223-aminobenzenecarbaldehydem-AMINOBENZALDEHYDE HClSCHEMBL245731
Database identifiers
- CAS
1709-44-0、29159-23-7- PubChem CID
- 74366
- DTXSID
DTXSID0061901- ChEMBL
CHEMBL3884023- EC Number
- 216-968-4
- Nikkaji
- J7.759C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Melting point
- 28 · 28-30 °C
- Boiling point
- 270.3 · 270.3±23.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.39 · 3.39±0.10(Predicted)
- EPA Substance Registry System
- 3 · Benzaldehyde, 3-amino- (1709-44-0)
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H317-H373-H411
- Precautionary statements
- 273 · P273-P280-P301+P310
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS09
- Hazard statements
- H301+H311+H331-H317-H373-H411
- Precautionary statements
- P273-P280-P301+P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 3-amino-: ACTIVE
Applications
Uses3-AMINOBENZALDEHYDE POLYMER can be used as an intermediate in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers25 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
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九鼎化学（上海）科技有限公司4009209199 · [email protected]
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上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
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深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
13 records
Linked notes
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