4-Chloro-N-methylpicolinamide (HCID 1476814)

이름 및 식별자

우선 이름: 4-Chloro-N-methylpicolinamide
IUPAC: 4-chloro-N-methylpyridine-2-carboxamide
영어명: 4-Chloro-N-methylpicolinamide
분자식: C7H7ClN2O
분자량: 170.6

이름 및 동의어

220000-87-34-Chloro-N-methylpicolinamide4-Chloro-N-methylpyridine-2-carboxamideDTXSID80363105RefChem:521896DTXCID80314152606-888-1N-Methyl-4-chloropyridine-2-carboxamide4-Chloro-N-methyl-2-pyridinecarboxamideMFCD02185921N-METHYL 4-CHLOROPICOLINAMIDECHEMBL4163507

이름 더 보기

oro-N-methyLSorafenib INT3CAS:220000-87-34-Chloropyridine-2IFLAB-BB F2108-0189Sorafenib Impurity 06-2-pyridinecarboxamide

4-Chloro-N-methylpyridine-2-carboxamide (>90%)(4-chloro(2-pyridyl))-N-methylcarboxamide4-Chloranyl-~{n}-Methyl-Pyridine-2-Carboxamide4-Chloro-N-methylpyridine-2-carboxamide (>90per cent)2-Pyridinecarboxamide, 4-chloro-N-methyl-7MU4-CHLOROPYRIDINE-2-CARBOXYLIC ACID METHYLAMIDESorafenib Impurity 47

데이터베이스 식별자

CAS: 220000-87-3
PubChem CID: 1476814
DTXSID: DTXSID80363105
ChEMBL: CHEMBL4163507
EC Number: 606-888-1
Nikkaji: J1.145.124A

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 42 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 151

물리화학적 성질

녹는점: 41 · 41-43°C
끓는 점: 317.8 · 317.8±27.0 °C(Predicted)
밀도: 1.264 · 1.264±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름 (약간 용해됨), 디클로로메탄 (약간 용해됨), 에틸아세테이트 (약간 용해됨), Met
물리적 상태: 고체
산도 계수 (pKa): 13.41 · 13.41±0.46(Predicted)
색상: 황백색에서 밝은 노란색까지
InChI: InChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11)
InChIKey: BGVBBMZMEKXUTR-UHFFFAOYSA-N
SMILES: C1(C(NC)=O)=NC=CC(Cl)=C1

화학적 성질

Pale-Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87.5%): 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, 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 8 reports by companies from 5 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

Hazard Classes and CategoriesAcute Tox. 4 (25%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (25%)；STOT SE 3 (87.5%)

안전 데이터

HS 번호: 2933399990
risk_code: 22-36
hazard_code: Xn
safety_code: 26

화학 및 산업

응용 분야 · 2건

개요4-Chloro-N-methylpicolinamide is a polar organic compound that interacts with hydrogen bonds. It has been shown to inhibit the value-added of cancer cells by inhibiting protein synthesis to inhibit the growth of human hepatocellular carcinoma cells, bcr/abl kinase, and hct116 cells, and is a candidate for cancer treatment. Studies have shown that it also inhibits the proliferation of MDA-MB231 breast cancer cells by blocking growth factor activity. In addition, 4-Chloro-N-methylpicolinamide is a pharmaceutical intermediate component used in the preparation of the antineoplastic drugs regorafenib and sorafenib.

용도4-Chloro-N-methylpyridine-2-carboxamide (>90%) (cas# 220000-87-3) is a compound useful in organic synthesis.