기본 정보
- 표준 SMILES
Clc1ccc(C(Cl)(Cl)Cl)cn1- InChIKey
VLJIVLGVKMTBOD-UHFFFAOYSA-N- 분자식
- C6H3Cl4N
- 평균 분자량
- 230.9 g/mol
- 단동위원소 질량
- 228.90196
이름 및 식별자
- 우선 이름
- 2-Chloro-5-trichloromethylpyridine
- IUPAC
- 2-chloro-5-(trichloromethyl)pyridine
- 영어명
- 2-Chloro-5-trichloromethylpyridine
- 분자식
- C6H3Cl4N
- 분자량
- 230.91
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
69045-78-9- PubChem CID
- 50293
- DTXSID
DTXSID4028967- ChEMBL
CHEMBL3188409- UNII
- 7YHC64YM0S
- EC Number
- 614-911-1
- Nikkaji
- J1.581.751H
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 12.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 133
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- -18.14 °C · -18.14 °C
- 끓는 점
- 281.8 · 281.8±35.0 °C(Predicted)
- 밀도
- 1.582 · 1.582±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- -2.26 · -2.26±0.10(Predicted)
- 색상
- 분홍색
- Henry's Law Constant
- 6.2 · 6.2×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EPA
- 2 · 2-Chloro-5-(trichloromethyl)pyridine (69045-78-9)
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 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.
유해성 정보
Regulatory Information
Pyridine, 2-chloro-5-(trichloromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 2-chloro-5-(trichloromethyl)- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
규제 정보
Regulatory Information
Pyridine, 2-chloro-5-(trichloromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 2-chloro-5-(trichloromethyl)- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
안전 데이터
- tsca
- TSCA listed
- ridadr
- UN2811
- HS 번호
- 2933399990
- risk_code
- 36/37/38-25
- hazard_code
- Xi,T
- safety_code
- 26-37/39-45
- 위험 참고 사항
- Irritant
화학 및 산업
용도 및 제조
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Pyridine, 2-chloro-5-(trichloromethyl)-: ACTIVE
상·하류 제품 정보
하류 제품
공급사50 곳
관련 반응
연결된 노트
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