Basic information
- CAS
5101-44-0- Standard SMILES
C#Cc1ccccc1O- InChIKey
KTLQDZRFPKXZSB-UHFFFAOYSA-N- Molecular formula
- C8H6O
- Average molar mass
- 118.13 g/mol
- Monoisotopic mass
- 118.04186481
Names & identifiers
- Preferred name
- 2-Ethynylphenol
- IUPAC
- 2-ethynylphenol
- English name
- 2-ETHYNYL-PHENOL
- Molecular formula
- C8H6O
- Molecular weight
- 118.13
Names & synonyms
2-ethynylphenolRefChem:472099888-986-65101-44-02-ETHYNYL-PHENOLPhenol, 2-ethynyl-MFCD000783942-hydroxyphenylacetylene2-hydroxyphenyl acetyleneo-ethynylphenolPhenol,2-ethynyl-o-Hydroxyphenylacetylene
Show more names
SKL14742-Ethynylphenol - [E48112](2-Hydroxyphenyl)acetylene
1-ethynyl-2-hydroxybenzeneSCHEMBL596947SCHEMBL1506749SCHEMBL3292353SCHEMBL16960441SCHEMBL30267598DTXSID70199016KTLQDZRFPKXZSB-UHFFFAOYSA-N
Database identifiers
- CAS
5101-44-0- PubChem CID
- 138415
- DTXSID
DTXSID70199016- EC Number
- 888-986-6
- Nikkaji
- J795.761K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Melting point
- 19 °C · 19 °C
- Boiling point
- 98 °C · 98 °C
- Density
- 1.12 · 1.12
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 8.62 · 8.62±0.30(Predicted)
- form
- liquid
- color
- Dark brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 305 · P305+P351+P338
- RIDADR
- 3261 · 3261
- HazardClass
- 8 · 8
- PackingGroup
- Ⅱ
- HS Code
- 2907199090 · 2907199090
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]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.
Safety data
- ridadr
- 3261
- hs_code
- 2907199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 8
- packing_group
- Ⅱ
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers67 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
上海合寰化工科技有限公司18621911604 · [email protected]
河南赢创生物科技有限公司15672878902 · [email protected]
上海熙誉化学科技有限公司021-15000143735 15221126179 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海锌果科技有限公司13120711461 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
南京新瑞医药科技有限公司19850079587 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
合肥启明医药科技有限公司15105695099
武汉沃格达生物科技有限公司15071299552 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
成都福柯斯医药技术有限公司028-64950838 17340131597 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
山东鸿图生物科技有限公司15966937598 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
上海雷祺生物科技有限公司18621609968 · [email protected]
Changzhou Ansciep Chemical Co., Ltd.+86 519 86305871 · [email protected]
Related reactions
9 records
Compound notes
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