Pentanoyl chloride, 4-methyl-

HCID 170008

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 38136-29-7
표준 SMILES: CC(C)CCC(=O)Cl
InChIKey: SVWCVXFHTHCJJB-UHFFFAOYSA-N
분자식: C6H11ClO
평균 분자량: 134.6 g/mol
단동위원소 질량: 134.0498427

이름 및 식별자

우선 이름: Pentanoyl chloride, 4-methyl-
IUPAC: 4-methylpentanoyl chloride
영어명: 4-Methylvaleryl chloride
분자식: C6H11ClO
분자량: 134.6

이름 및 동의어

4-Methylvaleryl chloride38136-29-74-methylpentanoyl chloridePentanoyl chloride, 4-methyl-EINECS 253-801-4DTXSID0068072RefChem:860011DTXCID4039445253-801-44-Methylvaleroyl ChlorideIsocaproyl chlorideMFCD00018814

이름 더 보기

Methylvaleryl chloride4-methyl-pentanoylchloridG-METHYLVALEROYL CHLORIDE4-MethylvalerylChloride>4-Methylvaleric acid chloride

Isocapronyl chloride4-methylvaleric acid chloride4-Methylpentanoyl Chloride; 4-Methylvaleric Acid Chloride; 4-Methylvaleroyl Chloride;4-Methylvaleryl Chloride; Isocaproyl Chloride; Isohexanoyl Chloride; ?-Methylvaleroyl Chloride; ?-Methylvaleryl Chloride4-Methylvaleroylchloride4-Methypentanoyl chloride4-methyl-pentanoyl chloridegamma-methylvaleroyl chloride

데이터베이스 식별자

CAS: 38136-29-7
PubChem CID: 170008
DTXSID: DTXSID0068072
EC Number: 253-801-4
Nikkaji: J294.601G

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 78

물리화학적 성질

끓는 점: 144 °C · 144°C(lit.)
밀도: 0.986 · 0.986±0.06 g/cm3(Predicted)
굴절률: 1.423 to · 1.4230 to 1.4270
물리적 상태: 투명한 액체
색상: Colorless to Light orange to Yellow
InChI: InChI=1S/C6H11ClO/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3
InChIKey: SVWCVXFHTHCJJB-UHFFFAOYSA-N
SMILES: C(Cl)(=O)CCC(C)C
EPA: 4 · Pentanoyl chloride, 4-methyl- (38136-29-7)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H290 (96.3%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (96.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P210, P233, P234, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P390, P403+P235, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 109 reports by companies from 2 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.