2,4-Dimethoxybenzonitrile (HCID 77750)

이름 및 식별자

우선 이름: 2,4-Dimethoxybenzonitrile
IUPAC: 2,4-dimethoxybenzonitrile
영어명: 2,4-Dimethoxybenzonitrile
분자식: C9H9NO2
분자량: 163.17

이름 및 동의어

2,4-Dimethoxybenzonitrile4107-65-7EINECS 223-886-2DTXSID00194034NSC 27020RefChem:443697DTXCID10116525223-886-2Benzonitrile, 2,4-dimethoxy-MFCD000017862,4-dimethoxy-benzonitrileUNII-WVW39ZC2HT

이름 더 보기

2,4-Dimethoxybenzoni2,4 methoxybenzonitrile2,4 Dimethoxybenxonitrile2,4-Dimethoxybenzonitrile,99%

4-Cyano-3-methoxyanisoleWVW39ZC2HT1-Cyano-2,4-dimethoxybenzeneSCHEMBL16089002,4-dimethoxybenzenecarbonitrile2,4-Dimethoxybenzonitrile, 99%CK2128NSC-27020

데이터베이스 식별자

CAS: 4107-65-7
PubChem CID: 77750
DTXSID: DTXSID00194034
UNII: WVW39ZC2HT
EC Number: 223-886-2
Nikkaji: J126.358G

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 42.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 184

물리화학적 성질

녹는점: 93 · 93-94 °C (lit.)
끓는 점: 290.25 °C · 290.25°C (rough estimate)
밀도: 1.2021 · 1.2021 (rough estimate)
굴절률: 1.53 · 1.5300 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 결정성 분말
색상: 흰색에서 약간 노란색
BRN: 1950512 · 1950512
InChI: InChI=1S/C9H9NO2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5H,1-2H3
InChIKey: RYRZSQQELLQCMZ-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(OC)C=C1OC

화학적 성질

white to slightly yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (97.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.8%): 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 45 reports by companies from 5 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

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)；Acute Tox. 4 (97.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (97.8%)；STOT SE 3 (97.8%)

안전 데이터

wgk: 3
ridadr: 3276
HS 번호: 29269095
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36-36/37
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids