5-(4-메틸페닐)이속사졸

5-(P-Tolyl)isoxazole

HCID 270015

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 7064-35-9
표준 SMILES: Cc1ccc(-c2ccno2)cc1
InChIKey: BJVLLTZZYAWHGW-UHFFFAOYSA-N
분자식: C10H9NO
평균 분자량: 159.18 g/mol
단동위원소 질량: 159.06841391

이름 및 식별자

우선 이름: 5-(P-Tolyl)isoxazole
IUPAC: 5-(4-methylphenyl)-1,2-oxazole
현지명: 5-(4-메틸페닐)이속사졸
영어명: 5-(4-Methylphenyl)isoxazole
분자식: C10H9NO
분자량: 159.18

이름 및 동의어

5-(p-Tolyl)isoxazoleRefChem:531480663-165-35-(4-methylphenyl)isoxazole7064-35-95-(4-methylphenyl)-1,2-oxazole5-p-TolylisoxazoleMFCD000305205-(4-methyl-phenyl)-isoxazole5-(p-tolyl)-isoxazoleNSC1119185-(4-methylphenyl)-isoxazole

이름 더 보기

5-(4-메틸페닐)이속사졸5-(p-Tolyl)5-(paramethylphenyl)isoazoleIsoxazole, 5-(4-methylphenyl)-Isoxazole, 5-(4-methylphenyl)- (9CI)5-(4-Methylphenyl)-1,2-oxazole, 4-(1,2-Oxazol-5-yl)toluene, 4-(Isoxazol-5-yl)toluene

SCHEMBL2556889DTXSID90296834SCHEMBL2307587SCHEMBL2842410SCHEMBL8922910BJVLLTZZYAWHGW-UHFFFAOYSA-N5-(4-methyl-phenyl)-1,2-oxazoleSBB087370

데이터베이스 식별자

CAS: 7064-35-9
PubChem CID: 270015
DTXSID: DTXSID90296834
EC Number: 663-165-3
Nikkaji: J3.289.468B

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 26 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 141

물리화학적 성질

녹는점: 60 °C · 60 °C
끓는 점: 290 · 290.0±9.0 °C(Predicted)
밀도: 1.082 · 1.082±0.06 g/cm3(Predicted)
저장 조건: Store at Room Tem.
산도 계수 (pKa): -2.92 · -2.92±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.