기본 정보
- 표준 SMILES
CCCCCCCCCCCCCCCCCC(=O)Cl- InChIKey
WTBAHSZERDXKKZ-UHFFFAOYSA-N- 분자식
- C18H35ClO
- 평균 분자량
- 302.9 g/mol
- 단동위원소 질량
- 302.23764342
이름 및 식별자
- 우선 이름
- Stearoyl chloride
- IUPAC
- octadecanoyl chloride
- 영어명
- STEAROYL CHLORIDE
- 분자식
- C18H35ClO
- 분자량
- 302.92
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
112-76-5- PubChem CID
- 8212
- DTXSID
DTXSID9051583- UNII
- MYP8E32GM2
- EC Number
- 204-004-5
- Nikkaji
- J110.175G
물성
구조 계산 물성
- XLogP
- 8.4
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 204
실험 및 물리화학적 성질
Solubility
SOL IN HOT ALCOHOL
SOL IN HYDROCARBONS AND ETHERS
Physical Description
Liquid
mp = 23 deg C; [HSDB] Slightly viscous liquid; mp = 18-22 deg C; [MSDSonline] White solid; mp = 21 deg C; [MSDSonline]
물리화학적 성질
- 녹는점
- 21 · 21-22 °C(lit.)
- 끓는 점
- 174 · 174-178 °C2 mm Hg(lit.)
- 밀도
- 0.897 g/mL · 0.897 g/mL at 25 °C(lit.)
- 증기압
- 0.034 · 0.034-20Pa at 25-115.2℃
- 굴절률
- 20 · n20/D 1.454(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 20 °C · −20°C
- 용해도
- soluble in Toluene,Acetone
- 물리적 상태
- 액체
- 색상
- 강한 갈색
- Specific Gravity
- 0.897 · 0.897
- 수용성
- 가수 분해
- BRN
- 639784 · 639784
- InChI
- 1S/C18H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3
- InChIKey
- WTBAHSZERDXKKZ-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCCC(Cl)=O
- NIST
- Stearic acid chloride(112-76-5)
- EPA
- Octadecanoyl chloride (112-76-5)
화학적 성질
clear yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H290 (59.4%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P332+P317, P333+P317, P362+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 180 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation]
유해성 정보
Regulatory Information
Chemical: Octadecanoyl chloride
Octadecanoyl chloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanoyl 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: 16-03-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/12664
Stearoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Induces general anesthesia and causes ataxia in lethal-dose feeding studies of rats; [RTECS] Reacts violently with water forming hydrochloric acid; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline] See STEARATES.
Hazard Classes and Categories
Met. Corr. 1 (59.4%)
Skin corrosion/irritation - Category 2
독성 정보
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- RG2162000
- ridadr
- UN 3261 8/PG 2
- HS 번호
- 29159000
- risk_code
- 14-34
- hazard_code
- C
- safety_code
- 26-36/37/39-43-45
- 포장분류
- III
- 위험 등급
- 8
- F 고인화성물질
- 10-21
- Hazard Classifications
- Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
- 유해 물질 데이터
- 112-76-5(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
Used in the synthesis of organic compounds; [Hawley]
PREPN OF SUBSTITUTED AMINES AND AMIDES, ACID ANHYDRIDES, ESTERIFICATION OF ALCOHOLS, SYNTHESIS OF OTHER ORG COMPD
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Octadecanoyl chloride: ACTIVE
응용 분야
용도Stearoyl Chloride is usually used in the synthesis of tumor-associated macrophages and antitumor agents.
상·하류 제품 정보
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