2-프로피오닐피리딘

2-Propionylpyridine

HCID 520574CAS 3238-55-9
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기본 정보

표준 SMILES
CCC(=O)c1ccccn1
InChIKey
ZHAZHKPVEROFLH-UHFFFAOYSA-N
분자식
C8H9NO
평균 분자량
135.16 g/mol
단동위원소 질량
135.06841391

이름 및 식별자

우선 이름
2-Propionylpyridine
IUPAC
1-pyridin-2-ylpropan-1-one
현지명
2-프로피오닐피리딘
영어명
2-Propionylpyridine
분자식
C8H9NO
분자량
135.16

이름 및 동의어

2-Propionylpyridine3238-55-91-Propanone, 1-(2-pyridinyl)-2-Pyridyl ethyl ketone1-Propanone, 1-(2-pyridyl)-DTXSID00334397RefChem:89303DTXCID10285487ZHAZHKPVEROFLH-UHFFFAOYSA-N1-(pyridin-2-yl)propan-1-one1-pyridin-2-ylpropan-1-one1-(2-Pyridinyl)-1-propanone
이름 더 보기
2-프로피오닐피리딘2-Propanoylpyridine1-(2-Pyridyl)-1-propanone2-Propionylpyridine (Standard)
MFCD00023486methylacetylpyridine2-propionyl pyridineethyl-2-pyridylketone1-(2-pyridyl)propan-1-oneSCHEMBL1564961-pyridin-2-yl-propan-1-oneorb3023254

데이터베이스 식별자

CAS
3238-55-9
PubChem CID
520574
DTXSID
DTXSID00334397
EC Number
877-127-0
Nikkaji
J113.917G

물성

구조 계산 물성

XLogP
1.3
극성 표면적
30 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
10

실험 및 물리화학적 성질

Kovats Retention Index · 3건

1165；1102；1114

1137

1676

물리화학적 성질

녹는점
206 · 206-207 °C
끓는 점
95 · 95-100 °C(Press: 15 Torr)
밀도
1.034 · 1.034±0.06 g/cm3(Predicted)
저장 조건
Inert atmosphere,Room Temperature
물리적 상태
액체
산도 계수 (pKa)
3.02 · 3.02±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): 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 (66.7%): 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

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

안전 데이터

wgk
WGK 3
HS 번호
2933399990
risk_code
22-36
hazard_code
Xn
safety_code
26
위험 등급
IRRITANT

화학 및 산업

응용 분야

용도2-Propionylpyridine is used in preparation of Oxodiphenyldihydropyrazolecarboxamide derivatives and analogs for use as ACSS2 inhibitors.

상·하류 제품 정보

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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