Basic information
- CAS
175203-69-7- Standard SMILES
O=C(O)c1cncc(C#Cc2ccccc2)c1- InChIKey
DXJZBANECHYHRT-UHFFFAOYSA-N- Molecular formula
- C14H9NO2
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.06332853
Names & identifiers
- Preferred name
- 5-(2-Phenyleth-1-Ynyl)Nicotinic Acid
- IUPAC
- 5-(2-phenylethynyl)pyridine-3-carboxylic acid
- English name
- 5-(2-PHENYLETH-1-YNYL)NICOTINIC ACID
- Molecular formula
- C14H9NO2
- Molecular weight
- 223.23
Names & synonyms
175203-69-75-(2-Phenyleth-1-Ynyl)Nicotinic Acid5-(Phenylethynyl)nicotinic acid5-(2-phenylethynyl)pyridine-3-carboxylic acid5-(Phenylethynyl)pyridine-3-carboxylic acidMFCD001740553-Pyridinecarboxylic acid, 5-(2-phenylethynyl)-CHEMBL13246125-(Phenyleth-1-ynyl)nicotinic acidMaybridge1_004925TIMTEC-BB SBB0054323-Pyridinecarboxylicacid, 5-(2-phenylethynyl)-
Show more names
BUTTPARK 46\04-545-(2-phenyl-1-ynyl)nicotinic acid
KVD5-phenylethynyl-pyridine-3-carboxylic acid5-phenylethynylnicotinic acidOprea1_156576MLS001182047SCHEMBL8344255-Phenylethynyl-nicotinic acidorb3030785
Database identifiers
- CAS
175203-69-7- PubChem CID
- 2779236
- DTXSID
DTXSID70381338- ChEMBL
CHEMBL1324612- EC Number
- 672-962-5
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Experimental & physicochemical properties
Solubility>33.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 245 °C · 245 °C
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 175203 · 175203-69-7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2933399990 · 2933399990
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers19 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
25 records
Compound notes
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