Pyrazine, 2-chloro-3-methyl- (HCID 66769)

이름 및 식별자

우선 이름: Pyrazine, 2-chloro-3-methyl-
IUPAC: 2-chloro-3-methylpyrazine
영어명: 2-CHLORO-3-METHYLPYRAZINE
분자식: C5H5ClN2
분자량: 128.56

이름 및 동의어

2-Chloro-3-methylpyrazine95-58-9Pyrazine, 2-chloro-3-methyl-2-Methyl-3-chloropyrazineZWK9VBZ5ZXEINECS 202-434-8NSC 41093NSC-41093DTXSID4059124RefChem:870432DTXCID7048954202-434-8

이름 더 보기

2-Chlor-3-methylpyrazin2-CHLORO-3,(5),(6)-ETHYLPYRAZINE2-CHLORO-3-METHYLPYRAZINE ISO 9001：2015 REACH

2-Chloro-3-methyl-pyrazineMFCD00023279NSC410932-chloro-3-methylpyrazin3-Chloro-2-methyl pyrazineSCHEMBL610054SCHEMBL790231SCHEMBL790756

데이터베이스 식별자

CAS: 95-58-9
PubChem CID: 66769
DTXSID: DTXSID4059124
UNII: ZWK9VBZ5ZX
EC Number: 202-434-8
Nikkaji: J29.017C

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 76

실험 및 물리화학적 성질

Kovats Retention Index · 2건

951

1399

물리화학적 성질

끓는 점: 80 °C · 80 °C(Press: 27 Torr)
밀도: 1.234 g/ml · 1.234g/ml
굴절률: 1.5283 · 1.5283
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -0.31 · -0.31±0.10(Predicted)
물리적 상태: 액체
색상: 무색의
InChI: InChI=1S/C5H5ClN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3
InChIKey: WZHWPZQQPWKEAV-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CN=C1C
LogP: 1.058 · 1.058 (est)
EPA: 2 · Pyrazine, 2-chloro-3-methyl- (95-58-9)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 3 reports by companies from 3 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

Regulatory InformationChemical: Pyrazine, 2-chloro-3-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (33.3%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (100%)

규제 정보

Regulatory InformationChemical: Pyrazine, 2-chloro-3-methyl-

안전 데이터

wgk: WGK 3
tsca: TSCA listed
HS 번호: 2933119000
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationPyrazine, 2-chloro-3-methyl-: INACTIVE

응용 분야

용도2-Chloro-3-methylpyrazine is a pyrazine compound in which the chlorine atom in the structure can be replaced for the preparation of other medicinal chemicals. It is used in the preparation of macrocyclic urea kinase inhibitors.