2,4-Dimethoxyphenyl isocyanate (HCID 601637)

이름 및 식별자

우선 이름: 2,4-Dimethoxyphenyl isocyanate
IUPAC: 1-isocyanato-2,4-dimethoxybenzene
영어명: 2,4-Dimethoxyphenyl isocyanate
분자식: C9H9NO3
분자량: 179.17

이름 및 동의어

2,4-Dimethoxyphenyl isocyanate84370-87-61-Isocyanato-2,4-dimethoxybenzeneBenzene, 1-isocyanato-2,4-dimethoxy-BBD3Y6XDN3EINECS 282-747-4DTXSID302333492,4-DIMETHOXY-1-ISOCYANATOBENZENERefChem:82485DTXCID80155840282-747-4WRAZHLRMDRTLOZ-UHFFFAOYSA-N

이름 더 보기

2,4-Dimethoxyphenyl2,4-Dimethoxyphenyl isocyanate,97%2,4-DiMethoxyphenyl isocyanate, 97% 5GR2,4-DiMethoxyphenyl isocyanate, 97% 1GRBenzene, 1-isocyanato-2,4-dimethoxy- (9CI)

2,4-DIMETHOXYPHENylisoCYANATEMFCD000020051-isocyanato-2,4-dimethoxy-benzene2,4-dimethoxybenzenisocyanateUNII-BBD3Y6XDN324-Dimethoxyphenyl isocyanateSCHEMBL703276SCHEMBL29541267

데이터베이스 식별자

CAS: 84370-87-6
PubChem CID: 601637
DTXSID: DTXSID30233349
UNII: BBD3Y6XDN3
EC Number: 282-747-4
Nikkaji: J236.286D

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 47.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 201

물리화학적 성질

녹는점: 31 · 31-32°C
끓는 점: 139 · 139-141°C 11mm
밀도: 1.2822 · 1.2822 (rough estimate)
굴절률: 1.5465 · 1.5465-1.5485
인화점: 110 °C · >110°C
물리적 상태: 녹은 후에 액체
색상: 맑은 연한 노란색
BRN: 1106649 · 1106649
InChI: 1S/C9H9NO3/c1-12-7-3-4-8(10-6-11)9(5-7)13-2/h3-5H,1-2H3
InChIKey: WRAZHLRMDRTLOZ-UHFFFAOYSA-N
SMILES: COc1ccc(N=C=O)c(OC)c1

화학적 성질

clear light yellow liquid after melting

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (90.9%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 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 (100%)；Acute Tox. 4 (90.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；Resp. Sens. 1 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 29291090
risk_code: 36/37/38-20/21/22-42
hazard_code: Xn
safety_code: 36/37/39-26
포장분류: II
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids