2-펜타논,3-브로모-

3-Bromo-2-pentanone

HCID 10012249CAS 815-48-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCC(Br)C(C)=O
InChIKey: VKJQRFXZZVMMGA-UHFFFAOYSA-N
분자식: C5H9BrO
평균 분자량: 165.03 g/mol
단동위원소 질량: 163.98368

이름 및 식별자

우선 이름: 3-Bromo-2-pentanone
IUPAC: 3-bromopentan-2-one
현지명: 2-펜타논,3-브로모-
영어명: 2-Pentanone, 3-bromo-
분자식: C5H9BrO
분자량: 165.03

이름 및 동의어

3-bromo-2-pentanone815-48-5DTXSID70434075RefChem:277363DTXCID903849023-bromopentan-2-one2-Pentanone, 3-bromo-3-bromo-pentan-2-one3-Brom-pentanon-(2)SCHEMBL539353VKJQRFXZZVMMGA-UHFFFAOYSA-NAAA81548

이름 더 보기

2-펜타논,3-브로모-2-Pentanone, 3-bromo-

EN300-366009

데이터베이스 식별자

CAS: 815-48-5
PubChem CID: 10012249
DTXSID: DTXSID70434075
EC Number: 876-248-6
Nikkaji: J698.887C

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 70

물리화학적 성질

끓는 점: 53 °C · 53 °C(Press: 14 Torr)
밀도: 1.355 · 1.355±0.06 g/cm3(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；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]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.