CAS 71031-02-2 (2R)-2-(Phenoxymethyl)oxirane (HCID 1534344)

기본 정보

CAS: 71031-02-2
표준 SMILES: c1ccc(OC[C@H]2CO2)cc1
InChIKey: FQYUMYWMJTYZTK-VIFPVBQESA-N
분자식: C9H10O2
평균 분자량: 150.17 g/mol
단동위원소 질량: 150.06807956

이름 및 식별자

우선 이름: (2R)-2-(Phenoxymethyl)oxirane
IUPAC: (2R)-2-(phenoxymethyl)oxirane
현지명: (R)-2-옥시라닐아니솔
영어명: (R)-2-Oxiranylanisole
분자식: C9H10O2
분자량: 150.17

이름 및 동의어

71031-02-2(2R)-2-(phenoxymethyl)oxiraneDTXSID901308155RefChem:397081DTXCID501738071(R)-Glycidyl phenyl ether(R)-2-(Phenoxymethyl)oxirane(R)-2-Oxiranylanisole(R)-glycidylphenyl etherMFCD06659025SCHEMBL1582872(r)-1,2-epoxy-3-phenoxypropane

이름 더 보기

(R)-2-옥시라닐아니솔(2R)-2-(2-methoxyphenyl)oxiraneRPGE(R)-Phenoxymethyloxirane(R)-PHENYL GLYCIDYL ETHER(R)-GlycidylPhenylEther>(R)-2-Oxiranylanisole(R)-ALPHA-(2-OXIRANYL)ANISOLE

(R)-(-)-3-(phenyloxy)-1,2-epoxypropane(R)-2-Oxiranylanisole, >=97.0% (sum of enantiomers, GC)(R)-2-phenoxymethyl-oxiraneSCHEMBL3958467FQYUMYWMJTYZTK-VIFPVBQESA-N(R)-2-(PhAKOS016843868AC-18290

데이터베이스 식별자

CAS: 71031-02-2
PubChem CID: 1534344
DTXSID: DTXSID901308155
EC Number: 615-241-2
Nikkaji: J751.031D

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 21.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 119

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

끓는 점: 85 · 85-86 °C(Press: 0.8 Torr)
밀도: 1.122 · 1.122±0.06 g/cm3(Predicted)
굴절률: 1.529 to · 1.5290 to 1.5330
인화점: 71 °C · 71 °C
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
InChI: 1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2/t9-/m0/s1
InChIKey: FQYUMYWMJTYZTK-VIFPVBQESA-N
SMILES: C1O[C@H]1COc2ccccc2

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P203, P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P332+P317, P333+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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: NA 1993 / PGIII
HS 번호: 29109000
risk_code: 45-20/21-37/38-41-43-52/53-68
hazard_code: T
safety_code: 53-26-36/37/39-45-61
F 고인화성물질: 10-23
Hazard Classifications: Acute Tox. 4 DermalCarc. 1BEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 1건

용도Reactant involved in the synthesis of:Neuroprotective small moleculesPiperidinol analogs for studies of anti-tuberculosis activity2-Substituted 3,4-dihydro-2H-1,4-benzoxazines via cyclization of hydroxyl sulfonamidesBicyclic azetidines via ring opening, esterification, chlorination and intramolecular alkylationBromoalkanes via ring opening and addition across C-O bondsInvolved in biological studies as a substrate for Bacillus-produced enantioselective eposide hydrolase