기본 정보
- 표준 SMILES
CC(C)(C)CCCCCC(=O)Cl- InChIKey
WOFMVUZGDHWHLJ-UHFFFAOYSA-N- 분자식
- C10H19ClO
- 평균 분자량
- 190.71 g/mol
- 단동위원소 질량
- 190.1124429
이름 및 식별자
- 우선 이름
- Neodecanoyl chloride
- IUPAC
- 7,7-dimethyloctanoyl chloride
이름 및 동의어
Neodecanoyl chloride7,7-dimethyloctanoyl chloride40292-82-8Neodecanoic chloride133028-20-3EINECS 254-875-0UNII-472HUY7V9X472HUY7V9XDTXSID00891218EC 254-875-0RefChem:165194DTXSID3028007
이름 더 보기
DTXCID601030408254-875-02,5,5-TRIMETHYLHEPTANOYL CHLORIDENeodecanoylchlorideneodecanoic acid chlorideSCHEMBL81402AKOS006272372DB-024417
데이터베이스 식별자
- CAS
133028-20-3、40292-82-8- PubChem CID
- 94502
- DTXSID
DTXSID00891218- EC Number
- 254-875-0
- Nikkaji
- J3.371.057G
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 135
실험 및 물리화학적 성질
Physical DescriptionLiquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]；H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H330: Fatal if inhaled [Danger Acute toxicity, inhalation]
P260, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
유해성 정보
Regulatory Information
Chemical: Neodecanoyl chloride
Neodecanoyl chloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Neodecanoyl chloride are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 15-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13712
Other Safety InformationIMAP assessments - Neodecanoyl chloride: Human health tier I assessment
Hazard Classes and Categories
Met. Corr. 1 (93.9%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Skin Sens. 1 (93.9%)；Eye Dam. 1 (91.3%)；Acute Tox. 2 (100%)；Aquatic Chronic 3 (95.7%)
Acute toxicity - category 2；Acute toxicity - category 4；Skin corrosion - category 1B
Acute Tox. 2 *；Acute Tox. 4 *；Skin Corr. 1B
규제 정보
Regulatory Information
Chemical: Neodecanoyl chloride
Neodecanoyl chloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Neodecanoyl chloride are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 15-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13712
화학 및 산업
용도 및 제조
U.S. Production2023: 500,000 - <1,000,000 lb；2022: 1,000,000 - <8,500,000 lb；2021: 1,000,000 - <8,500,000 lb；2020: 1,000,000 - <8,500,000 lb
Industry UsesIntermediate
General Manufacturing Information
Plastics Product Manufacturing；All Other Basic Organic Chemical Manufacturing
Neodecanoyl chloride: ACTIVE
관련 반응
5건
연결된 노트
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