(3-Methoxyphenyl)acetonitrile

HCID 88310CAS 19924-43-7

기본 정보

표준 SMILES
COc1cccc(CC#N)c1
InChIKey
LXKNAUOWEJWGTE-UHFFFAOYSA-N
분자식
C9H9NO
평균 분자량
147.17 g/mol
단동위원소 질량
147.06841391

이름 및 식별자

우선 이름
(3-Methoxyphenyl)acetonitrile
IUPAC
2-(3-methoxyphenyl)acetonitrile
영어명
(3-Methoxyphenyl)acetonitrile
분자식
C9H9NO
분자량
147.17

이름 및 동의어

19924-43-7(3-Methoxyphenyl)acetonitrile3-MethoxyphenylacetonitrileBenzeneacetonitrile, 3-methoxy-(m-Methoxyphenyl)acetonitrilem-Methoxy benzyl cyanideEINECS 243-428-5DTXSID60173704NSC 143401RefChem:69128DTXCID5096195243-428-5
이름 더 보기
M-METHOXYBENZONITRILEAKOS B004087M-ANISONITRILE3-CYANOANISOLE3-ANISONITRILEm-Anisyl cyanide(3-Methoxyphenyl)aceEmbutramide Impurity 13-Methoxyphenylactonitrile
InChI=1/C9H9NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5H2,1HLXKNAUOWEJWGTE-UHFFFAOYSA-N2-(3-methoxyphenyl)acetonitrile3-Methoxybenzyl cyanideMFCD000019103-methoxybenzeneacetonitrile2-(3-methoxyphenyl)ethanenitrileNSC-143401

데이터베이스 식별자

CAS
19924-43-7
PubChem CID
88310
DTXSID
DTXSID60173704
ChEMBL
CHEMBL2228958
ChEBI
CHEBI:194899
UNII
7W4V7EEP5V
EC Number
243-428-5
Nikkaji
J62.876J

물성

구조 계산 물성

XLogP
1.5
극성 표면적
33 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
11

실험 및 물리화학적 성질

Kovats Retention Index1379.4;1372

물리화학적 성질

녹는점
8 C · 8C
끓는 점
164 · 164-165 °C/20 mmHg (lit.)
밀도
1.054 g/mL · 1.054 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.5402(lit.)
인화점
221 °F · 221 °F
저장 조건
Sealed in dry,Room Temperature

화학적 성질

clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 1.8% (1 of 56) of reports.

Danger

H301 (28.6%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (16.1%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H330 (16.1%): Fatal if inhaled [Danger Acute toxicity, inhalation];H335 (73.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 56 reports by companies.;There are 7 notifications provided by 55 of 56 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 · 2건

Status: Active Update: 19-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19545

(3-Methoxyphenyl)acetonitrile: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (28.6%);Acute Tox. 3 (16.1%);Skin Irrit. 2 (75%);Eye Irrit. 2A (75%);Acute Tox. 2 (16.1%);STOT SE 3 (73.2%)

규제 정보

Regulatory Information · 2건

Status: Active Update: 19-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19545

(3-Methoxyphenyl)acetonitrile: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
ridadr
3276
HS 번호
29269095
risk_code
20/21/22-36/37/38
hazard_code
Xn,Xi
safety_code
26-37/39-36

화학 및 산업

응용 분야

용도3-Methoxyphenylacetonitrile is used in the synthesis of isoflavones which inhibit epithelial cell proliferation and induce apoptosis in vitro.

공급사50 곳

常州帝通化工有限公司+86-0519-88298848 · [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]
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]

관련 반응

104건

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