Basic information
- CAS
1093306-86-5- Standard SMILES
C#Cc1ccc(F)c(C#N)c1- InChIKey
HMYHIKAXGAPRJL-UHFFFAOYSA-N- Molecular formula
- C9H4FN
- Average molar mass
- 145.13 g/mol
- Monoisotopic mass
- 145.03277735
Names & identifiers
- Preferred name
- 5-Ethynyl-2-fluorobenzonitrile
- IUPAC
- 5-ethynyl-2-fluorobenzonitrile
- English name
- 5-Ethynyl-2-fluorobenzonitrile
- Molecular formula
- C9H4FN
- Molecular weight
- 145.13
Names & synonyms
5-ETHYNYL-2-FLUOROBENZONITRILE1093306-86-55-Ethynyl-2-fluoro-benzonitrileMFCD14584650SCHEMBL3633872DTXSID20700111HMYHIKAXGAPRJL-UHFFFAOYSA-NSY283783DB-011441CS-0441024E85858EN300-1842495
Show more names
Benzonitrile, 5-ethynyl-2-fluoro-
F766095
Database identifiers
- CAS
1093306-86-5- PubChem CID
- 53429295
- DTXSID
DTXSID20700111- EC Number
- 170-024-5
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 213.6 · 213.6±30.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, stored under nitrogen
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 301 · P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2926907090 · 2926907090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers13 total
上海药森生物科技有限公司18916117619 18916117619
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
华诺医药科技(广西)有限公司13005928603 · [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]
Alchem Pharmtech,Inc.8485655694 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
6 records
Compound notes
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