2-Chloropyridine-3,4-diamine

HCID 285736CAS 39217-08-8

기본 정보

표준 SMILES: Nc1ccnc(Cl)c1N
InChIKey: PWOIYBVEDIFBEO-UHFFFAOYSA-N
분자식: C5H6ClN3
평균 분자량: 143.57 g/mol
단동위원소 질량: 143.0250249

이름 및 식별자

우선 이름: 2-Chloropyridine-3,4-diamine
IUPAC: 2-chloropyridine-3,4-diamine
영어명: 2-Chloro-3,4-diaminopyridine
분자식: C5H6ClN3
분자량: 143.57

이름 및 동의어

2-chloropyridine-3,4-diamineDTXSID90301412RefChem:470508DTXCID40252546686-011-739217-08-82-CHLORO-3,4-DIAMINOPYRIDINE3,4-Diamino-2-chloropyridine2-Chloro-3,4-pyridinediamineMFCD07363739NSC143160SCHEMBL337291

이름 더 보기

NSC 143160oropyridine-3,4-diamine2-Chloro-3,4-pyridinediam...3,4-Pyridinediamine, 2-chloro-(4-amino-2-chloro-3-pyridyl)amine2-chloropyridine-3,4-diaMinehydrochloride

SCHEMBL29738526CS-D07762-CHLOROPYRIDIN-3,4-DIAMINESBB079600SC32213,4-Diamino-2-chloropyridine, 97%AKOS005257926GS-5810

데이터베이스 식별자

CAS: 39217-08-8
PubChem CID: 285736
DTXSID: DTXSID90301412
EC Number: 686-011-7
Nikkaji: J1.876.825I

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 64.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 98

물리화학적 성질

녹는점: 158 · 158-163℃
끓는 점: 381.3 · 381.3±37.0 °C(Predicted)
밀도: 1.447 · 1.447±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 4.79 · 4.79±0.42(Predicted)
색상: Light yellow to Brown to Dark green
InChI: 1S/C5H6ClN3/c6-5-4(8)3(7)1-2-9-5/h1-2H,8H2,(H2,7,9)
InChIKey: PWOIYBVEDIFBEO-UHFFFAOYSA-N
SMILES: Nc1ccnc(Cl)c1N

화학적 성질

Light red solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H317 (97.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 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 (97.7%)；Skin Sens. 1 (97.7%)；Eye Irrit. 2A (100%)

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 29333990
risk_code: 36/37/38-43-36-22
hazard_code: Xi,Xn
safety_code: 26-37-36/37-24/25-36/37/39
포장분류: Ⅲ
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects