2-Hydroxy-4-nitrobenzonitrile

HCID 286148CAS 39835-14-8

기본 정보

표준 SMILES: N#Cc1ccc([N+](=O)[O-])cc1O
InChIKey: DZNPHVPBCNZVGW-UHFFFAOYSA-N
분자식: C7H4N2O3
평균 분자량: 164.12 g/mol
단동위원소 질량: 164.02219199

이름 및 식별자

우선 이름: 2-Hydroxy-4-nitrobenzonitrile
IUPAC: 2-hydroxy-4-nitrobenzonitrile
영어명: 2-HYDROXY-4-NITROBENZONITRILE
분자식: C7H4N2O3
분자량: 164.12

이름 및 동의어

2-hydroxy-4-nitrobenzonitrile39835-14-82-Cyano-5-nitrophenolMFCD022588752-Hydroxy-4-nitro-benzonitrile39035-14-8Benzonitrile, 2-hydroxy-4-nitro-NSC1439814-nitro-2-hydroxybenzonitrileSCHEMBL361541DTXSID70960400DZNPHVPBCNZVGW-UHFFFAOYSA-N

이름 더 보기

2-HYDROXY-4-NITROBENZONITRILE 98%JRH-04201, 2-Hydroxy-4-nitrobenzonitrile, 97%

CL9070AKOS006223876FH70360NSC 143981NSC-143981AC-26136AS-46196SY238455

데이터베이스 식별자

CAS: 39835-14-8
PubChem CID: 286148
DTXSID: DTXSID70960400
EC Number: 672-564-1
Nikkaji: J484.054B

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 89.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 227

물리화학적 성질

녹는점: 160 · 160-161°C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
InChI: 1S/C7H4N2O3/c8-4-5-1-2-6(9(11)12)3-7(5)10/h1-3,10H
InChIKey: DZNPHVPBCNZVGW-UHFFFAOYSA-N
SMILES: OC1=C(C#N)C=CC([N+]([O-])=O)=C1

화학적 성질

Yellow needles

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 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.