CAS 215364-85-5 3-Bromo-2-chloropyridin-4-amine (HCID 29919300)

基本情報

CAS: 215364-85-5
標準SMILES: Nc1ccnc(Cl)c1Br
InChIKey: KTWAUKYSQFZIET-UHFFFAOYSA-N
分子式: C5H4BrClN2
平均分子量: 207.45 g/mol
単同位体質量: 205.92463791

名称と識別子

優先名称: 3-Bromo-2-chloropyridin-4-amine
IUPAC: 3-bromo-2-chloropyridin-4-amine
現地名: 3-ブロモ-2-クロロ-4-ピリジンアミン
英語名: 4-Amino-3-bromo-2-chloropyridine
分子式: C5H4BrClN2
分子量: 207.46

名称と別名

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

名称をさらに表示

3-ブロモ-2-クロロ-4-ピリジンアミン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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.8
極性表面積: 38.9 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 101

物理化学的性質

融点: 150 · 150-151°
沸点: 329 · 329.0±37.0 °C(Predicted)
比重(密度): 1.834 · 1.834±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 2.73 · 2.73±0.42(Predicted)
外見: 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

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (100%)

安全データ

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933399990
risk_code: 25-37/38-41
hazard_code: T
safety_code: 26-39-45
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野

使用4-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.