3-Bromo-2-chloropyridin-4-amine

HCID 29919300

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 215364-85-5
표준 SMILES: Nc1ccnc(Cl)c1Br
InChIKey: KTWAUKYSQFZIET-UHFFFAOYSA-N
분자식: C5H4BrClN2
평균 분자량: 207.45 g/mol
단동위원소 질량: 205.92463791

이름 및 식별자

우선 이름: 3-Bromo-2-chloropyridin-4-amine
IUPAC: 3-bromo-2-chloropyridin-4-amine
영어명: 4-Amino-3-bromo-2-chloropyridine
분자식: C5H4BrClN2
분자량: 207.46

이름 및 동의어

215364-85-53-bromo-2-chloropyridin-4-amineDTXSID50652033RefChem:277303DTXCID806027834-Amino-3-bromo-2-chloropyridine3-Bromo-2-chloro-4-pyridinamineMFCD092634783-Bromo-2-chloro-pyridin-4-ylamine3-bromo-2-chloro-pyridin-4-amine4-Pyridinamine, 3-bromo-2-chloro-3-bromo-2-chloro-4-pyridylamine

이름 더 보기

SA0374344-PyridinaMine,3-broMo-2-chloro-4-AMino-3-broMo-2-chloropyridine, 97+%4-AMINO-3-BROMO-2-CHLOROPYRIDINE ISO 9001：2015 REACHn-[[(1s,2r)-2-Hydroxycyclohexyl]Methyl]-n-Methylpropionamide2(1H)-Pyridinone,5,6-dihydro-3-(4-morpholinyl)-1-[4-(2-oxo-5-piperidinyl)phenyl]-

SCHEMBL1994378KTWAUKYSQFZIET-UHFFFAOYSA-N3-bromo-2-chloro-4-aminopyridine4-amino-3-bromo-2-chloro pyridineSBB070446AKOS005072809CS-W015259FD-0733

데이터베이스 식별자

CAS: 215364-85-5
PubChem CID: 29919300
DTXSID: DTXSID50652033
EC Number: 694-576-6

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 101

물리화학적 성질

녹는점: 150 · 150-151°
끓는 점: 329 · 329.0±37.0 °C(Predicted)
밀도: 1.834 · 1.834±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 2.73 · 2.73±0.42(Predicted)
물리적 상태: solid
InChI: InChI=1S/C5H4BrClN2/c6-4-3(8)1-2-9-5(4)7/h1-2H,(H2,8,9)
InChIKey: KTWAUKYSQFZIET-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC(N)=C1Br

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1 / PGIII
HS 번호: 2933399990
risk_code: 25-37/38-41
hazard_code: T
safety_code: 26-39-45
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도4-Amino-3-bromo-2-chloropyridine is an organic compound, which is often used as a synthetic intermediate for certain drugs, including peptide drugs, hormone drugs, anti-tumor drugs, etc. It is also used in the synthesis of dyes.