Butyl cyanoacetate

HCID 79571CAS 5459-58-5

기본 정보

표준 SMILES
CCCCOC(=O)CC#N
InChIKey
DJACTCNGCHPGOI-UHFFFAOYSA-N
분자식
C7H11NO2
평균 분자량
141.17 g/mol
단동위원소 질량
141.07897859

이름 및 식별자

우선 이름
Butyl cyanoacetate
IUPAC
butyl 2-cyanoacetate
영어명
n-Butyl cyanoacetate
분자식
C7H11NO2
분자량
141.17

이름 및 동의어

Butyl cyanoacetate5459-58-5butyl 2-cyanoacetaten-Butyl cyanoacetateAcetic acid, cyano-, butyl esterCyanoacetic Acid Butyl EsterUNII-F9H6L20VOHDTXSID1044439EINECS 226-730-1Acetic acid, 2-cyano-, butyl esterF9H6L20VOHMFCD00001941
이름 더 보기
BCYAn-ButylcyanateAButyl cyanoacetateBUTYL CYANOACETATE(N-)n-Butyl a-cyanoacetateButyl cyanoacetate 95%Butyl Cyanoacetate >
Cyanoacetic acid n-butyl esterBRN 1761735Butyl cyanoacetate, 95%EC 226-730-1Tox21_302126NSC-24260FS-4205CAS-5459-58-5

데이터베이스 식별자

CAS
5459-58-5
PubChem CID
79571
DTXSID
DTXSID1044439
ChEMBL
CHEMBL3186378
UNII
F9H6L20VOH
EC Number
226-730-1
Nikkaji
J134.026C

물성

구조 계산 물성

XLogP
1.3
극성 표면적
50.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
5
무거운 원자 수
10

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

끓는 점
230.7 °C · 230.7 °C
밀도
1 · 1
굴절률
20 · n20/D 1.425(lit.)
인화점
189 °F · 189 °F
저장 조건
2 · 2-8°C
물리적 상태
투명한 액체

화학적 성질

Clear liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 27.3% (15 of 55) of reports.

Warning

H312 (70.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (72.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (72.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (70.9%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (70.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 55 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 15 of 55 reports by companies.;There are 3 notifications provided by 40 of 55 reports by companies with hazard statement code(s).;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

Regulatory Information · 5건

Chemical: Acetic acid, cyano-, butyl ester

Acetic acid, 2-cyano-, butyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-cyano-, butyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 09-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/16479

Acetic acid, cyano-, butyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (70.9%);Skin Irrit. 2 (72.7%);Eye Irrit. 2 (72.7%);Acute Tox. 4 (70.9%);STOT SE 3 (70.9%)

규제 정보

Regulatory Information · 5건

Chemical: Acetic acid, cyano-, butyl ester

Acetic acid, 2-cyano-, butyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-cyano-, butyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 09-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/16479

Acetic acid, cyano-, butyl ester: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
AG3692500
ridadr
UN 3276 6.1/PG 3
HS 번호
29269090
risk_code
20/21/22-36/37/38

화학 및 산업

용도 및 제조

U.S. Production2023: 35,274 lb;2022: 35,274 lb;2021: 141,094 lb;2020: 35,274 lb
Industry UsesIntermediate
General Manufacturing Information · 2건

Miscellaneous Manufacturing

Acetic acid, 2-cyano-, butyl ester: ACTIVE

응용 분야

용도Butyl cyanoacetate is used as intermediate for numerous organic syntheses, e.g. alpha-cyanoacrylic adhesives. Product Data Sheet

일반 설명tert-Butyl cyanoacetate undergoes alkylation with many substituted benzyl and heteroalyl alcohols to form the corressponding alpha-alkylated products.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]

관련 반응

2건

연결된 노트

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