5-Oxo-5-(2-thienyl)valeric acid

HCID 255155
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기본 정보

CAS
22971-62-6
표준 SMILES
O=C(O)CCCC(=O)c1cccs1
InChIKey
GSQMRVFOHNXKOR-UHFFFAOYSA-N
분자식
C9H10O3S
평균 분자량
198.24 g/mol
단동위원소 질량
198.03506535

이름 및 식별자

우선 이름
5-Oxo-5-(2-thienyl)valeric acid
IUPAC
5-oxo-5-thiophen-2-ylpentanoic acid
영어명
5-OXO-5-(2-THIENYL)VALERIC ACID
분자식
C9H10O3S
분자량
198.24

이름 및 동의어

22971-62-65-Oxo-5-(thiophen-2-yl)pentanoic acid5-Oxo-5-(2-thienyl)valeric acid4-(2-thienoyl)butyric acid5-oxo-5-thiophen-2-ylpentanoic acidMFCD001518485-oxo-5-(2-thienyl)pentanoic acid2-Thiophenepentanoic acid, delta-oxo-NSC804125-Oxo-5-(thiophen-2-yl)pentanoicacidDTXSID50292130STR04830
이름 더 보기
5-keto-5-(2-thienyl)valeric acid2-Thiophenepentanoic acid, δ-oxo-5-OXO-5-(2-THIENYL)VALERIC ACID 95%5-oxo-5-(2-Thienyl)valeric acid ,97%5-OXO-5-(2-THIENYL)VALERIC ACID ISO 9001：2015 REACHN'-[4-(hydroxymethyl)-2,5-diphenyl-3-pyrazolyl]-N,N-dimethylmethanimidamide
NSC-804125-(thien-2-yl)-5-oxopentanoic acidZ2348955215-oxo-5-thien-2-ylpentanoic acidFT-0616563A242424-(2-thenoyl)butyric acid5-(2-Thienoyl)butyric acid

데이터베이스 식별자

CAS
22971-62-6
PubChem CID
255155
DTXSID
DTXSID50292130
EC Number
681-852-6

물성

구조 계산 물성

XLogP
1.4
극성 표면적
82.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
13

물리화학적 성질

녹는점
94 · 94-97°C
끓는 점
407.8 · 407.8±25.0 °C(Predicted)
밀도
1.282 · 1.282±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C(protect from light)
산도 계수 (pKa)
4.59 · 4.59±0.10(Predicted)
BRN
141775 · 141775

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 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 CategoriesSkin Sens. 1 (20%)；Eye Irrit. 2 (100%)

안전 데이터

HS 번호
29349990
risk_code
36/37/38
safety_code
26-36

화학 및 산업

상·하류 제품 정보

공급사28 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

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