6-클로로메틸-니코티노니트릴

6-(Chloromethyl)pyridine-3-carbonitrile

HCID 14980535

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 83640-36-2
표준 SMILES: N#Cc1ccc(CCl)nc1
InChIKey: JWMUINMLGIWUHB-UHFFFAOYSA-N
분자식: C7H5ClN2
평균 분자량: 152.58 g/mol
단동위원소 질량: 152.0141259

이름 및 식별자

우선 이름: 6-(Chloromethyl)pyridine-3-carbonitrile
IUPAC: 6-(chloromethyl)pyridine-3-carbonitrile
현지명: 6-클로로메틸-니코티노니트릴
영어명: 6-ChloroMethyl-nicotinonitrile
분자식: C7H5ClN2
분자량: 152.58

이름 및 동의어

83640-36-26-(CHLOROMETHYL)PYRIDINE-3-CARBONITRILEDTXSID50566444RefChem:306762DTXCID50517219877-376-56-(Chloromethyl)nicotinonitrileMFCD131890856-(CHLOROMETHYL)-3-PYRIDINECARBONITRILE3-Pyridinecarbonitrile, 6-(chloromethyl)-6-chloromethylnicotinonitrileSCHEMBL2645965

이름 더 보기

6-클로로메틸-니코티노니트릴6-(Chloromethyl)nicotinnitrile6-ChloroMethyl-nicotinonitrile

SCHEMBL30164016JWMUINMLGIWUHB-UHFFFAOYSA-NAKOS006384890AB67716DS-3624CS-0054354EN300-255397P11633

데이터베이스 식별자

CAS: 83640-36-2
PubChem CID: 14980535
DTXSID: DTXSID50566444
EC Number: 877-376-5

물성

구조 계산 물성

XLogP: 1
극성 표면적: 36.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 149

물리화학적 성질

끓는 점: 274.3 · 274.3±30.0 °C(Predicted)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 0.27 · 0.27±0.22(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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. 3 (50%)；Acute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Corr. 1B (50%)；Eye Dam. 1 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)