Phenol, 4-(1,1-dimethylethyl)-2-nitro-

HCID 18661
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기본 정보

CAS
3279-07-0
표준 SMILES
CC(C)(C)c1ccc(O)c([N+](=O)[O-])c1
InChIKey
IHGNADPMUSNTJW-UHFFFAOYSA-N
분자식
C10H13NO3
평균 분자량
195.21 g/mol
단동위원소 질량
195.08954328

이름 및 식별자

우선 이름
Phenol, 4-(1,1-dimethylethyl)-2-nitro-
IUPAC
4-tert-butyl-2-nitrophenol
영어명
4-tert-Butyl-2-nitrophenol
분자식
C10H13NO3
분자량
195.22

이름 및 동의어

4-tert-Butyl-2-nitrophenol3279-07-02-Nitro-4-tert-butylphenolPhenol, 4-(1,1-dimethylethyl)-2-nitro-Q94NDU9GTFEINECS 221-914-8NSC-36629DTXSID9074642NSC 366294-(1,1-DIMETHYLETHYL)-2-NITROPHENOLRefChem:172798DTXCID2038574
이름 더 보기
4-T-BUTYL-2-NITROPHENOL2-Nitryl-4-tert-butylphenolO-NITRO-P-(TERT)BUTYL PHENOL4-tert-Butyl-2-nitrophenol >4-TERT-BUTYL-2-NITROPHENOL 98+%4-tert-Butyl-2-nitrophenol ISO 9001：2015 REACH
InChI=1/C10H13NO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12H,1-3H4-(TERT-BUTYL)-2-NITROPHENOLMFCD001918884-tert.-butyl-2-nitrophenolPhenol, 4-(1,1-dimethylethyl)-2-nitroNSC36629UNII-Q94NDU9GTFo-nitro-p-t-butyl-phenol

데이터베이스 식별자

CAS
3279-07-0
PubChem CID
18661
DTXSID
DTXSID9074642
UNII
Q94NDU9GTF
EC Number
221-914-8
Nikkaji
J27.353H

물성

구조 계산 물성

XLogP
3.7
극성 표면적
66.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
14

실험 및 물리화학적 성질

Kovats Retention Index1361

물리화학적 성질

녹는점
27 · 27-29 °C(lit.)
끓는 점
97 °C1 · 97 °C1 mm Hg(lit.)
밀도
1.12 g/mL · 1.12 g/mL at 25 °C(lit.)
굴절률
1.55 · 1.5500-1.5530
인화점
230 °F · >230 °F
저장 조건
2 · 2-8°C

화학적 성질

Yellow low melting solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): 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, 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 40 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

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

규제 정보

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

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29089990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

화학 및 산업

용도 및 제조

General Manufacturing InformationPhenol, 4-(1,1-dimethylethyl)-2-nitro-: ACTIVE

응용 분야

용도4-tert-Butyl-2-nitrophenol may be used for the preparation of (2-hydroxy-3-nitro-5-tert-butylbenzyl)trimethylammonium iodide.

상·하류 제품 정보

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [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]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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