Basic information
- CAS
7127-19-7- Standard SMILES
c1ccc(C2=NCCO2)cc1- InChIKey
ZXTHWIZHGLNEPG-UHFFFAOYSA-N- Molecular formula
- C9.H9.N.O
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Phenyl-2-oxazoline
- IUPAC
- 2-phenyl-4,5-dihydro-1,3-oxazole
- English name
- 4,5-DIHYDRO-2-PHENYLOXAZOLE
- Molecular formula
- C9H9NO
- Molecular weight
- 147.17
Names & synonyms
7127-19-72-Phenyl-2-oxazolineDTXSID30288157RefChem:478048DTXCID10239304615-271-62-Phenyl-4,5-dihydrooxazole4,5-Dihydro-2-phenyloxazole2-Phenyl-4,5-dihydro-1,3-oxazoleoxazole, 4,5-dihydro-2-phenyl-2-phenyloxazolineMFCD00075541
Show more names
oxazolinylbenzene2-Phenyl-2-oxazoline 99%4,5-Dihydro-2-phenyloxazole>(4,5-DIHYDRO-2-OXAZOLYL)BENZENE2-PHENYL-4,5-DIHYDROOXAZOLE 98%
2-Phenyl(2-oxazoline)SCHEMBL84185CHEMBL3323438BDBM50497964AKOS005362465SY052471D2155F19688
Database identifiers
- CAS
7127-19-7- PubChem CID
- 244030
- DTXSID
DTXSID30288157- ChEMBL
CHEMBL3323438- EC Number
- 615-271-6
- Nikkaji
- J81.331A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
Density1.118 @25 °C
Boiling Point75 °C @760 [mm Hg]
Physicochemical properties
- Melting point
- 12 °C · 12 °C(lit.)
- Boiling point
- 75 °C0.3 · 75 °C0.3 mm Hg(lit.)
- Density
- 1.118 g/mL · 1.118 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.567(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 4.69 · 4.69±0.50(Predicted)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light yellow
- InChI
- InChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2
- InChIKey
- ZXTHWIZHGLNEPG-UHFFFAOYSA-N
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)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety & protection
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2934.99.4400
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
Chemistry & industry
Suppliers83 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海摩睿化学科技有限公司13382110328 15255501563 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
北京索莱宝科技有限公司
Related reactions
16 records
Compound notes
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