5-브로모메틸-이속사졸

5-(Bromomethyl)-1,2-oxazole

HCID 10034903

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 69735-35-9
표준 SMILES: BrCc1ccno1
InChIKey: DKBISLDZVNXIFT-UHFFFAOYSA-N
분자식: C4H4BrNO
평균 분자량: 161.98 g/mol
단동위원소 질량: 160.94763

이름 및 식별자

우선 이름: 5-(Bromomethyl)-1,2-oxazole
IUPAC: 5-(bromomethyl)-1,2-oxazole
현지명: 5-브로모메틸-이속사졸
영어명: 5-Bromomethyl-isoxazole
분자식: C4H4BrNO
분자량: 161.98

이름 및 동의어

5-(bromomethyl)-1,2-oxazoleRefChem:530808815-476-25-(Bromomethyl)isoxazole69735-35-95-BROMOMETHYL-ISOXAZOLEMFCD086695175-BROMOMETHYLISOXAZOLEIsoxazole, 5-(bromomethyl)-Isoxazole, 5-(bromomethyl)- (9CI)5-bromomethyl isoxazole5-(Bromomethyl);isoxazole

이름 더 보기

5-브로모메틸-이속사졸40013 1 380,-

SCHEMBL918053DTXSID80434445DKBISLDZVNXIFT-UHFFFAOYSA-NCS-D02115-(Bromomethyl)isoxazole, AldrichCPRAKOS006238586SB38364BS-12754

데이터베이스 식별자

CAS: 69735-35-9
PubChem CID: 10034903
DTXSID: DTXSID80434445
EC Number: 815-476-2
Nikkaji: J1.446.116G

물성

구조 계산 물성

XLogP: 1
극성 표면적: 26 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 59

물리화학적 성질

끓는 점: 58 · 58-62 °C(Press: 0.5 Torr)
밀도: 1.706 · 1.706±0.06 g/cm3(Predicted)
산도 계수 (pKa): -2.63 · -2.63±0.50(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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.