2-Hydroxybenzonitrile (HCID 11907)

이름 및 식별자

우선 이름: 2-Hydroxybenzonitrile
IUPAC: 2-hydroxybenzonitrile
현지명: 2-히드록시벤조니트릴
영어명: 2-Cyanophenol
분자식: C7H5NO
분자량: 119.12

이름 및 동의어

2-Hydroxybenzonitrile2-Cyanophenol611-20-1Salicylonitrileo-Cyanophenolo-HydroxybenzonitrileBenzonitrile, 2-hydroxy-DTXSID304166151RSM8K1VZNSC-53558DTXCID1021661RefChem:473406

이름 더 보기

2-사이아노페놀2-히드록시벤조니트릴2-hydroxy-benzonitrilCYANOPHENOLTIMTEC-BB SBB0079592-Cyanopheno2 /4 CyanoPhenol

210-259-3SalicylnitrileBenzonitrile, hydroxy-Benzonitrile, o-hydroxy-o-HydoxybenzonitrileMFCD00002145Hydroxybenzonitrile2-Hydroxy-benzonitrile

데이터베이스 식별자

CAS: 611-20-1、69481-42-1
PubChem CID: 11907
DTXSID: DTXSID3041661
ChEMBL: CHEMBL195342
ChEBI: CHEBI:194657
UNII: 51RSM8K1VZ
EC Number: 210-259-3
Nikkaji: J75B

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 44 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 135

실험 및 물리화학적 성질

Ionization Efficiency · 6건

Positive

1.29

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

물리화학적 성질

녹는점: 92 · 92-95 °C (lit.)
끓는 점: 149 °C/14 · 149 °C/14 mmHg (lit.)
밀도: 1.1052 · 1.1052
증기압: 0.17 Pa · 0.17Pa at 25℃
굴절률: 1.5372 · 1.5372
인화점: 149 °C/14mm · 149°C/14mm
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 결정성 분말
산도 계수 (pKa): 6.86 · 6.86(at 25℃)
색상: 황백색에서 갈색까지
수용성: 녹는
BRN: 1210029 · 1210029
Henry's Law Constant: 2.8 · 2.8×101 mol/(m3Pa) at 25℃, Hilal et al. (2008)
안정성: 안정적인. 강한 산화제, 강한 염기와 호환되지 않습니다.
InChI: 1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
InChIKey: CHZCERSEMVWNHL-UHFFFAOYSA-N
SMILES: Oc1ccccc1C#N
LogP: 1.66 at · 1.66 at 30℃
NIST: 2 · Benzonitrile, 2-hydroxy-(611-20-1)
EPA: 2 · Benzonitrile, 2-hydroxy- (611-20-1)

화학적 성질 · 1건

2-Cyanophenol is a white to light yellow crystal powder with a pungent and bitter odor. It is partially soluble in water with a Pka value of 7.17. However, it is unstable when exposed to strong alkalis and oxidants. It is an important intermediate for the synthesis of the fungicide azoxystrobin and the antihypertensive drug Bunirolol.

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (99.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (38.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (61.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (60%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (38.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (37.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 120 reports by companies from 11 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

Chemical: Benzonitrile, 2-hydroxy-

Status: Active Update: 30-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5252

2-Hydroxybenzonitrile: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (99.2%)；Skin Irrit. 2 (38.3%)；Skin Sens. 1 (61.7%)；Eye Dam. 1 (60%)；Eye Irrit. 2 (38.3%)；STOT SE 3 (37.5%)

규제 정보

Regulatory Information · 3건

Chemical: Benzonitrile, 2-hydroxy-

Status: Active Update: 30-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5252

2-Hydroxybenzonitrile: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29269095
risk_code: 22-36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 26-36-45
기존화학 물질: 2015-3-6324
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Sens. 1B
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzonitrile, 2-hydroxy-: ACTIVE

응용 분야 · 2건

개요Cyanophenol is a vital molecule widely used to synthesize liquid crystal materials, medicines, spices, pesticides, corrosion inhibitors, etc. Cyanophenol is formed by substituting two hydrogen atoms of benzene molecules with hydroxyl and cyano groups, respectively. The cyano and hydroxyl groups are in the ring plane in the stable molecular structure. The hydroxyl group can have two different orientations relative to the cyano group. 2-cyanophenol, one of the Cyanophenol, is an essential ingredient in pesticides, spices, liquid crystal materials, etc. It is an especially critical intermediate for synthesizing methoxyacrylate fungicide mystrostrobin, widely used in agrochemicals, pharmaceutical chemicals, and other industries. The cyano group can strongly attract electrons. Replacing a hydrogen atom of the benzene ring by the cyano group usually increases the ionization energy (IE)[1].

용도2-Hydroxybenzonitrile is used as starting reagent during the synthesis of mono-alkoxyphenyloxazoline, furanoside.

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]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

연결된 노트

불러오는 중…

2-히드록시벤조니트릴

기본 정보