2-Chloro-6-methylpyridine-3-carbonitrile (HCID 520400)

이름 및 식별자

우선 이름: 2-Chloro-6-methylpyridine-3-carbonitrile
IUPAC: 2-chloro-6-methylpyridine-3-carbonitrile
영어명: 2-Chloro-6-methyl-3-pyridinecarbonitrile
분자식: C7H5ClN2
분자량: 152.58

이름 및 동의어

2-chloro-6-methylpyridine-3-carbonitrileRefChem:469704628-229-728900-10-92-Chloro-6-methylnicotinonitrile2-Chloro-6-methyl-3-pyridinecarbonitrile2-Chloro-3-cyano-6-methylpyridineMFCD000827673-Pyridinecarbonitrile, 2-chloro-6-methyl-2-Chloro-6-methyl-nicotinonitrileDTXSID60334338CS-M1411

이름 더 보기

AKOS BBS-00008244BUTTPARK 153\57-09IFLAB-BB F3250-0678TIMTEC-BB SBB0066182-chloro-3-cyano-6-methypyridine2-Chloro-6-methyl-3-cyano-pyridine2-chloro-6-methylnicotinonitrile 99%

TD8102F3250-0678PB12067AC-24537AS-17587BB 0219228VU0607312-12-Chloro-3-cyano-6-picoline

데이터베이스 식별자

CAS: 28900-10-9
PubChem CID: 520400
DTXSID: DTXSID60334338
EC Number: 628-229-7
Nikkaji: J1.350.506C

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 36.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 114 · 114-116 °C (lit.)
끓는 점: 140 · 140-145 °C (lit.)
밀도: 1.2763 · 1.2763 (rough estimate)
굴절률: 1.55 · 1.5500 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): -1.21 · -1.21±0.10(Predicted)
색상: 옅은 노랑
BRN: 120414 · 120414
InChI: InChI=1S/C7H5ClN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3
InChIKey: YSBNBAYNISAUIT-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(C)=CC=C1C#N
NIST: 2 · 2-Chloro-3-cyano-6-methylpyridine(28900-10-9)

화학적 성질

light yellow to brown cryst. flakes or needles

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (91.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (10.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (89.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (89.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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 46 reports by companies from 6 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 (100%)；Acute Tox. 4 (91.3%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (10.9%)；Eye Irrit. 2 (89.1%)；Acute Tox. 4 (89.1%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
ridadr: 3276
HS 번호: 29333990
risk_code: 20/21/22-36/37/38
hazard_code: Xn,T
safety_code: 26-37/39-36/37/39-22
포장분류: III
위험 등급: 6.1
위험 참고 사항: Toxic
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-Chloro-6-methyl-3-pyridinecarbonitrile, is a building block used for the synthesis of various biologically active compounds. It can be used for the preparation of 2-(Alkoxycarbonyl)-3-Anilinobenzo[b]thiophenes and Thieno[2,3-b]pyridines as new potent anticancer agents.