1-사이클로헥실-2-피롤리디논

N-Cyclohexyl-2-pyrrolidone

HCID 81278CAS 6837-24-7

기본 정보

표준 SMILES
O=C1CCCN1C1CCCCC1
InChIKey
PZYDAVFRVJXFHS-UHFFFAOYSA-N
분자식
C10H17NO
평균 분자량
167.25 g/mol
단동위원소 질량
167.13101417

이름 및 식별자

우선 이름
N-Cyclohexyl-2-pyrrolidone
IUPAC
1-cyclohexylpyrrolidin-2-one
현지명
1-사이클로헥실-2-피롤리디논
영어명
N-Cyclohexyl-2-pyrrolidone
분자식
C10H17NO
분자량
167.25

이름 및 동의어

6837-24-71-cyclohexylpyrrolidin-2-oneN-Cyclohexyl-2-pyrrolidone2-Pyrrolidinone, 1-cyclohexyl-N-CyclohexylpyrrolidoneCyclohexyl pyrrolidone7IM8P1VVNMDTXSID7044716DTXCID50247161-cyclohexylpyrrolidoneRefChem:163139229-919-7
이름 더 보기
1-사이클로헥실-2-피롤리디논1-사이클로헥실-2-피롤리디논(1-CYCLOHEXYL-2-PYRROLIDINONE)N-시클로헥실-2-피롤리돈CHPn-cyclohexylSid470pSLC9A1BPCyclohexyl-2-pyrrolidLABOTEST-BB LT00159787Cyclohexyl-2-pyrrolidone
1-Cyclohexyl-2-pyrrolidone1-Cyclohexyl-2-pyrrolidinoneN-CyclohexylpyrrolidinoneUNII-7IM8P1VVNMEINECS 229-919-7MFCD00003191BRN 01218321-cyclohexyl-pyrrolidin-2-one

데이터베이스 식별자

CAS
6837-24-7
PubChem CID
81278
DTXSID
DTXSID7044716
ChEMBL
CHEMBL3183929
UNII
7IM8P1VVNM
EC Number
229-919-7
Nikkaji
J150.014G

물성

구조 계산 물성

XLogP
1.6
극성 표면적
20.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
12

실험 및 물리화학적 성질

Physical Description · 2건

Liquid

Pale yellow liquid; [Alfa Aesar MSDS]

Collision Cross Section · 1건

157.7 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7044716];140.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7044716];139.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID7044716]

물리화학적 성질

녹는점
12 °C · 12 °C
끓는 점
154 °C7 · 154 °C7 mm Hg(lit.)
밀도
1.007 g/mL · 1.007 g/mL at 25 °C(lit.)
증기압
0.05 mm · 0.05 mm Hg ( 25 °C)
굴절률
20 · n20/D 1.499(lit.)
인화점
230 °F · >230 °F

화학적 성질

clear liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302+H312 (25.5%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal];H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (98.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (71.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 153 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

Regulatory Information · 3건

2-Pyrrolidinone, 1-cyclohexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pyrrolidinone, 1-cyclohexyl- 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)

Status: Active Update: 09-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21831

2-Pyrrolidinone, 1-cyclohexyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

No adverse fetal effects observed in rats or rabbits by oral administration during organogenesis; [Shepard's Catalog of Teratogenic Agents] A severe skin and eye irritant; Causes other changes of the liver, kidney, ureter, and bladder in oral lethal-dose studies of rats; [RTECS] An irritant that may cause serious eye injury; Highly toxic by inhalation; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS] See N-Ethyl-2-pyrrolidone and N-Methyl-2-pyrrolidone.

Hazard Classes and CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (100%);Skin Corr. 1B (98.7%);Eye Dam. 1 (71.2%)

독성 정보

Toxicity DataLC50 (rat) = 120 ppm/1hr

규제 정보

Regulatory Information · 3건

2-Pyrrolidinone, 1-cyclohexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pyrrolidinone, 1-cyclohexyl- 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)

Status: Active Update: 09-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21831

2-Pyrrolidinone, 1-cyclohexyl-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
UY5748450
ridadr
UN 2810 6.1/PG 2
HS 번호
29337900
risk_code
22-36/37/38-26-21/22-34

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb;2022: <50,000 lb;2021: 50,000 - <250,000 lb;2020: 50,000 - <250,000 lb
Industry UsesSolvent
General Manufacturing Information · 2건

Synthetic Dye and Pigment Manufacturing

2-Pyrrolidinone, 1-cyclohexyl-: ACTIVE

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]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

관련 반응

15건

연결된 노트

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