Basic information
- CAS
61266-32-8- Standard SMILES
O=[N+]([O-])c1ccc(C#CCO)cc1- InChIKey
IVTAMNNBGCKOBI-UHFFFAOYSA-N- Molecular formula
- C9H7NO3
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.04259308
Names & identifiers
- Preferred name
- 3-(4-Nitrophenyl)prop-2-yn-1-ol
- IUPAC
- 3-(4-nitrophenyl)prop-2-yn-1-ol
- English name
- 3-(4-Nitro-phenyl)-prop-2-yn-1-ol
- Molecular formula
- C9H7NO3
- Molecular weight
- 177.16
Names & synonyms
3-(4-nitrophenyl)prop-2-yn-1-ol61266-32-8DTXSID40407670RefChem:1066915DTXCID903585223-(4-Nitrophenyl)-2-propyn-1-ol3-(4-Nitro-phenyl)-prop-2-yn-1-olMFCD001688442-Propyn-1-ol, 3-(4-nitrophenyl)-SCHEMBL6318644IVTAMNNBGCKOBI-UHFFFAOYSA-IVTAMNNBGCKOBI-UHFFFAOYSA-N
Show more names
AKOS PRN-0005
LCA26632STK092436AKOS0041179014-(3-hydroxyprop-1-ynyl)-nitrobenzeneDB-072922CS-0245824A50680EN300-311973
Database identifiers
- CAS
61266-32-8- PubChem CID
- 5033713
- DTXSID
DTXSID40407670- Nikkaji
- J1.069.233D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Appearance
- orange solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2904200090 · 2904200090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2904200090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers9 total
郑州德元凯化工有限公司17837139533 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
2 records
Compound notes
Loading…