1,4-Diisocyanatobenzene

HCID 61009CAS 104-49-4

기본 정보

표준 SMILES
O=C=Nc1ccc(N=C=O)cc1
InChIKey
ALQLPWJFHRMHIU-UHFFFAOYSA-N
분자식
C8H4N2O2
평균 분자량
160.13 g/mol
단동위원소 질량
160.02727737

개요

1,4-phenylene diisocyanate appears as white crystals or pale yellow chunky solid. Pungent odor. (NTP, 1992)

이름 및 식별자

우선 이름
1,4-Diisocyanatobenzene
IUPAC
1,4-diisocyanatobenzene
영어명
1,4-Phenylene diisocyanate
분자식
C8H4N2O2
분자량
160.13

이름 및 동의어

1,4-Phenylene diisocyanate1,4-Diisocyanatobenzenep-Phenylene diisocyanateBENZENE, 1,4-DIISOCYANATO-1,4-BenzenediisocyanateUNII-OKE64XZR2LOKE64XZR2LEINECS 203-207-6NSC 94776NSC-94776Phenylene-1,4-diisocyanateDTXSID3025883
이름 더 보기
PPDI1,4-PhenyLFLURBIPROFEN USP241,4-Phenylene diisocp-phenyleneisocyanatep-phenyl diisocyanatePhenylene diisocyanat1,4-Phenyldiisocyanate
HYDROQUINONE, DIISOCYANATERefChem:73279Isocyanic acid, p-phenylene ester (6CI,7CI,8CI)DTXCID705883ALQLPWJFHRMHIU-UHFFFAOYSA-N104-49-4p-Phenylene isocyanateIsocyanic acid, p-phenylene ester

데이터베이스 식별자

CAS
104-49-4
PubChem CID
61009
DTXSID
DTXSID3025883
UNII
OKE64XZR2L
EC Number
203-207-6
Nikkaji
J113.009I

물성

구조 계산 물성

XLogP
3.5
극성 표면적
58.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
12

실험 및 물리화학적 성질

Density1.17 at 212 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Flash Pointgreater than 210 °F (NTP, 1992)
Boiling Point500 °F at 760 mmHg (NTP, 1992)
Melting Point201 °F (NTP, 1992)
Vapor Pressureless than 0.006 mmHg at 68 °F (NTP, 1992)

물리화학적 성질

녹는점
96 · 96-99 °C (lit.)
끓는 점
260 °C · 260 °C (lit.)
밀도
1.3848 · 1.3848 (rough estimate)
증기압
0.01 mm · <0.01 mm Hg ( 20 °C)
굴절률
1.49 · 1.4900 (estimate)
인화점
230 °F · >230 °F

화학적 성질

white to light yellow crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (23.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 163 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Benzene, 1,4-diisocyanato- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,4-diisocyanato- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 05-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/27776

Benzene, 1,4-diisocyanato-: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelPoison
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this chemical include irritation of the skin and eyes. It also causes sensitization of the skin and lungs.
Reactive GroupIsocyanates and Isothiocyanates
Reactivity AlertsWater-Reactive

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Protective Action Criteria (PAC) · 3건

0.22 [mg/m3]

2.4 [mg/m3]

14 [mg/m3]

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
CZ6150000
ridadr
UN 2811 6.1/PG 3
HS 번호
29291010
risk_code
20/21/22-36/37/38-42-34-41-38

화학 및 산업

용도 및 제조

U.S. Production2023: 250,000 - <550,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2건

Paper Manufacturing

Benzene, 1,4-diisocyanato-: ACTIVE

응용 분야 · 2건

용도1,4-Phenylene diisocyanate has been used:as croos-linking reagent to investigate the mechanism of enzyme immobilization on silanized surfacesin the synthesis of dipodal bis-urea receptor, a selective receptor for hydrogen sulfatein deposition of polyurea resists films via molecular layer deposition

일반 설명White crystals or pale yellow chunky solid. Pungent odor.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

관련 반응

39건

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