2-시클로부틸리덴아세트산

2-Cyclobutylideneacetic acid

HCID 21923173

기본 정보

CAS
25021-04-9
표준 SMILES
O=C(O)C=C1CCC1
InChIKey
ACWUGSRELMTOFJ-UHFFFAOYSA-N
분자식
C6H8O2
평균 분자량
112.13 g/mol
단동위원소 질량
112.05242949

이름 및 식별자

우선 이름
2-Cyclobutylideneacetic acid
IUPAC
2-cyclobutylideneacetic acid
현지명
2-시클로부틸리덴아세트산
영어명
2-cyclobutylideneacetic acid
분자식
C6H8O2
분자량
112.13

이름 및 동의어

2-cyclobutylideneacetic acidRefChem:470813813-587-025021-04-9Cyclobutylideneacetic acidMFCD098657312-cyclobutylideneaceticacidCyclobutylidene acetic acidSCHEMBL620598DTXSID40620160AKOS006380146SB10985
이름 더 보기
2-시클로부틸리덴아세트산Cyclobutylidene-acetic acidAcetic acid, cyclobutylidene-Acetic acid, 2-cyclobutylidene-2-Cyclobutylideneacetic acid - C10691
SY042126TS-01559AMY33602BB 0262188ABA02104DB-365008CS-0045555EN300-104307

데이터베이스 식별자

CAS
25021-04-9
PubChem CID
21923173
DTXSID
DTXSID40620160
EC Number
813-587-0

물성

구조 계산 물성

XLogP
0.7
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
8

물리화학적 성질

녹는점
96 °C · 96 °C
끓는 점
110 °C · 110 °C(Press: 2 Torr)
밀도
1.353 · 1.353±0.06 g/cm3(Predicted)
저장 조건
2 · Storage temp. 2-8°C
물리적 상태
고체
산도 계수 (pKa)
4.25 · 4.25±0.41(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (100%): 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 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. 4 (100%);Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Dam. 1 (50%);Eye Irrit. 2 (50%);Acute Tox. 4 (100%);STOT SE 3 (100%)

안전 데이터

HS 번호
2932990090

화학 및 산업

상·하류 제품 정보

공급사44 곳

上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]

관련 반응

5건

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