4-Amino-5-chloro-2,6-dimethylpyrimidine

HCID 593843CAS 2858-20-0

기본 정보

표준 SMILES: Cc1nc(C)c(Cl)c(N)n1
InChIKey: BKFCZKYCVQQMCX-UHFFFAOYSA-N
분자식: C6H8ClN3
평균 분자량: 157.6 g/mol
단동위원소 질량: 157.04067494

이름 및 식별자

우선 이름: 4-Amino-5-chloro-2,6-dimethylpyrimidine
IUPAC: 5-chloro-2,6-dimethylpyrimidin-4-amine
영어명: 4-AMINO-5-CHLORO-2,6-DIMETHYLPYRIMIDINE
분자식: C6H8ClN3
분자량: 157.6

이름 및 동의어

2858-20-04-Amino-5-chloro-2,6-dimethylpyrimidineDTXSID90344006RefChem:517929DTXCID70295082620-655-15-chloro-2,6-dimethylpyrimidin-4-amine4-Pyrimidinamine, 5-chloro-2,6-dimethyl-MFCD00191727AKOS002789159SB55692CS-0128920

이름 더 보기

TIMTEC-BB SBB004000LABOTEST-BB LT000125915-chloro-2,6-dimethyl-4-pyrimidinamine4-Amino-5-chloro-2,6-dimethylpyrimidine >4-AMINO-5-CHLORO-2,6-DIMETHYLPYRIMIDINE ISO 9001：2015 REACH

D884784-Amino-5-chloro-2,6-dimethylpyrimidine, 96%5-chloro-2,6-dimethylpyrimidine-4-ylamine4-AMINO-2-CHLORO-6,7-DIMETHYLPYRIMIDINESCHEMBL1143207STR04772SBB004000NA67922

데이터베이스 식별자

CAS: 2858-20-0
PubChem CID: 593843
DTXSID: DTXSID90344006
EC Number: 620-655-1
Nikkaji: J2.561.338D

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 120

물리화학적 성질

녹는점: 164 · 164-166 °C (lit.)
끓는 점: 257.1 · 257.1±35.0 °C(Predicted)
밀도: 1.284 · 1.284±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 5.49 · 5.49±0.10(Predicted)
InChI: 1S/C6H8ClN3/c1-3-5(7)6(8)10-4(2)9-3/h1-2H3,(H2,8,9,10)
InChIKey: BKFCZKYCVQQMCX-UHFFFAOYSA-N
SMILES: Cc1nc(C)c(Cl)c(N)n1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29335990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도4-Amino-5-chloro-2,6-dimethylpyrimidine is suitable reagent employed as a nucleobase standard in the systematic quantitative structure-retention relationship (QSRR) study on pyrimidines between the molecular descriptors (variables) and their chromatographic retention (experimental unit).

일반 설명4-Amino-5-chloro-2,6-dimethylpyrimidine (ACDP) is an aminopyrimidine derivative. Its interaction as an electron donor with a σ-electron acceptor, iodine has been studied.