Pyrazinecarbonyl chloride

HCID 88279

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 19847-10-0
표준 SMILES: O=C(Cl)c1cnccn1
InChIKey: TXJKATOSKLUITR-UHFFFAOYSA-N
분자식: C5H3ClN2O
평균 분자량: 142.54 g/mol
단동위원소 질량: 141.9933904

이름 및 식별자

우선 이름: Pyrazinecarbonyl chloride
IUPAC: pyrazine-2-carbonyl chloride
영어명: 2-Pyrazinecarbonyl chloride
분자식: C5H3ClN2O
분자량: 142.54

이름 및 동의어

19847-10-02-Pyrazinecarbonyl chloridePyrazinecarbonyl chlorideEINECS 243-367-4DTXSID10173592RefChem:870452DTXCID8096083243-367-4Pyrazine-2-carbonyl chloridepyrazine 2-carbonyl chlorideMFCD00792886Pyrazine-2-carboxylic acid chloride

이름 더 보기

ASINEX-REAG BAS 07703829Pyrazine-2-carbonyl chloride, 90+%2-PYRAZINECARBONYL CHLORIDE: TECH.Pyrazine-2-carbonyl chloride, technical, 90%

2-Pyrazinecarbonylchloride2-pyrazine carbonyl chloridepyrazinoyl chloridePyrazine-2-carbonylchlorideSCHEMBL417976H9QU868NP8TIMTEC-BB SBB0102902-pyrazine carboxylic acid chloride

데이터베이스 식별자

CAS: 19847-10-0
PubChem CID: 88279
DTXSID: DTXSID10173592
UNII: H9QU868NP8
EC Number: 243-367-4
Nikkaji: J280.380A

물성

구조 계산 물성

XLogP: 1
극성 표면적: 42.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 118

물리화학적 성질

녹는점: 41 °C · 41°C
끓는 점: 214.5 · 214.5±20.0 °C(Predicted)
밀도: 1.393 · 1.393±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -2.5 · -2.50±0.10(Predicted)
수용성: 물과 반응합니다.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

ridadr: 3265
HS 번호: 2933998090
risk_code: 34
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8

화학 및 산업

응용 분야 · 1건

용도2-Pyrazinecarbonyl Chloride is an intermediate used in the synthesis of (S)-N-[1-(3-Hydroxy-3-methylbutanamido)-1-oxo-3-phenylpropan-2yl]pyrazine-2-carboxamide (H805105), which is an impurity of bortezomib (B675700), which is the first proteasome inhibitor to be approved by the US FDA for multiple myeloma, a blood cancer. A reversible inhibitor of the 26S proteasome-a barrel-shaped multiprotein particle found in the nucleus and cytosol of all eukaryotic cells. Targets the ubiquitin-proteasome pathway.