4-Chlorofuro[3,2-c]pyridine

HCID 2779746CAS 31270-80-1

기본 정보

표준 SMILES: Clc1nccc2occc12
InChIKey: OPFFYLJLHPZSEO-UHFFFAOYSA-N
분자식: C7H4ClNO
평균 분자량: 153.56 g/mol
단동위원소 질량: 152.9981414

이름 및 식별자

우선 이름: 4-Chlorofuro[3,2-c]pyridine
IUPAC: 4-chlorofuro[3,2-c]pyridine
영어명: 4-Chlorofuro[3,2-c]pyridine
분자식: C7H4ClNO
분자량: 153.57

이름 및 동의어

4-chlorofuro[3,2-c]pyridine31270-80-1DTXSID503815334-Chlorofuro(3,2-c)pyridineRefChem:292119DTXCID80332558800-345-4Furo[3,2-c]pyridine, 4-chloro-4-Chloro-furo[3,2-c]pyridineMFCD021797684-chlorouro[3,2-c]pyridineSCHEMBL127374

이름 더 보기

104328Compound Fr13857SALOR-INT L299537-1EA4-CHLOROFURO[3,2-]PYRIDINE1. 4-Chlorofuro[3,2-C]Pyridine4-Chlorofuro[3,2-c]pyridine HCl4-CHLOROFURO[3,2-C]PYRIDINE 97%4-Chlorofuro[3,2-c]pyridine, 95+%

CHEBI:194642AKOS006229220CS-W002916PS-4421SB15349orb2567344orb2901869SCHEMBL6293173

데이터베이스 식별자

CAS: 31270-80-1
PubChem CID: 2779746
DTXSID: DTXSID50381533
ChEBI: CHEBI:194642
EC Number: 800-345-4
Nikkaji: J848.415E

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 26 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 131

물리화학적 성질

녹는점: 41 °C · 41 °C
끓는 점: 243 ℃ · 243℃
밀도: 1.377 · 1.377
인화점: 101 ℃ · 101℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 고체
산도 계수 (pKa): -0.69 · -0.69±0.30(Predicted)
색상: 오렌지 레드
InChI: InChI=1S/C7H4ClNO/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H
InChIKey: OPFFYLJLHPZSEO-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC2OC=CC1=2

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (60%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (60%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (80%): 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 5 reports by companies from 5 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%)；Acute Tox. 4 (60%)；Acute Tox. 4 (60%)；Skin Irrit. 2 (80%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (60%)；STOT SE 3 (80%)