1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepane

HCID 735734CAS 231953-40-5

기본 정보

표준 SMILES: FC(F)(F)c1cnc(N2CCCNCC2)c(Cl)c1
InChIKey: PKKLERQDFWUWNM-UHFFFAOYSA-N
분자식: C11H13ClF3N3
평균 분자량: 279.69 g/mol
단동위원소 질량: 279.0750096

이름 및 식별자

우선 이름: 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepane
IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
영어명: 1-[3-Chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane
분자식: C11H13ClF3N3
분자량: 279.69

이름 및 동의어

231953-40-51-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepaneDTXSID00352814RefChem:1054147DTXCID703038781-[3-Chloro-5-(Trifluoromethyl)-2-Pyridyl]-1,4-DiazepaneC11H13ClF3N3MFCD002388561H-1,4-Diazepine, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexahydro-1-[3-Chloro-5-(trifluoromethyl)pyrid-2-yl]-1,4-diazepane1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

이름 더 보기

TOSLAB 803433BUTTPARK 33\06-201-(3-Chloro-5-trifluoromethyl-2-pyridyl)homopiperazine1-3-Chloro-5-(trifluoromethyl)pyridin-2-ylü-1,4-diazepane1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]homopiperazine97%

1-[3-Chloro-5-(trifluoromethyl)-pyridin-2-yl]-1,4-diazepane1-[3-Chloro-5-(trifluoromethyl)pyrid-2-yl]homopiperazineorb3030224SCHEMBL2009112CHEMBL5641809SCHEMBL302234091-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]homopiperazineFr14171

데이터베이스 식별자

CAS: 231953-40-5
PubChem CID: 735734
DTXSID: DTXSID00352814
ChEMBL: CHEMBL5641809
EC Number: 679-169-3

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 28.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 275

물리화학적 성질

녹는점: 128 °C · 128°C
끓는 점: 128 °C · 128°C
밀도: 1.306 · 1.306±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: 액체
산도 계수 (pKa): 10.02 · 10.02±0.20(Predicted)
색상: Yellow/ pale brown
InChI: 1S/C11H13ClF3N3/c12-9-6-8(11(13,14)15)7-17-10(9)18-4-1-2-16-3-5-18/h6-7,16H,1-5H2
InChIKey: PKKLERQDFWUWNM-UHFFFAOYSA-N
SMILES: FC(F)(F)c1cnc(N2CCCNCC2)c(Cl)c1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]；H314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (20%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1 / PGIII
HS 번호: 2940000080
risk_code: 36/37/38-25
hazard_code: Xi,T
safety_code: 26-36/37/39-45
위험 등급: 8
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

공급사14 곳

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]

TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]

赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]

연결된 노트

불러오는 중…