2-Methylpropyl isocyanate

HCID 61281CAS 1873-29-6

기본 정보

표준 SMILES
CC(C)CN=C=O
InChIKey
NNZVKALEGZPYKL-UHFFFAOYSA-N
분자식
C5H9NO
평균 분자량
99.13 g/mol
단동위원소 질량
99.06841391

이름 및 식별자

우선 이름
2-Methylpropyl isocyanate
IUPAC
1-isocyanato-2-methylpropane
영어명
Isobutyl isocyanate
분자식
C5H9NO
분자량
99.13

이름 및 동의어

1-Isocyanato-2-methylpropaneIsobutyl isocyanate1873-29-6Propane, 1-isocyanato-2-methyl-2-Methylpropyl isocyanateIsocyanic acid, isobutyl ester69A68W7YAEEINECS 217-495-6UN2486DTXSID4075293ISOCYANATO-2-METHYLPROPANE2Methylpropyl isocyanate
이름 더 보기
1-Isocyanato-2-MethylpropanIsobutyl isocyanate USP/EP/BPisocyanic acid isobutyl ester
RefChem:476213Propane, 1isocyanato2methylDTXCID5035909217-495-6Propane,1-isocyanato-2-methyl-1-isocyanato-2-methyl-propaneisobutylisocyanateIsobutyl-isocyanat

데이터베이스 식별자

CAS
1873-29-6
PubChem CID
61281
DTXSID
DTXSID4075293
UNII
69A68W7YAE
EC Number
217-495-6
Nikkaji
J68.771E

물성

구조 계산 물성

XLogP
2.3
극성 표면적
29.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
7

실험 및 물리화학적 성질

Physical Description · 2건

Isobutyl isocyanate appears as a colorless liquid. Less dense than water. Contact may severely irritate skin, eyes and mucous membranes. May be very toxic by ingestion, inhalation and skin absorption. Used to make pesticides and pharmaceuticals.

Colorless liquid; [CAMEO]

물리화학적 성질

녹는점
85.5 °C · 85.5°C (estimate)
끓는 점
125.62 °C · 125.62°C (estimate)
밀도
0.957 · 0.9570 (estimate)
굴절률
1.4061 · 1.4061 (estimate)
인화점
23 ° · 23°
EPA
1 · Propane, 1-isocyanato-2-methyl- (1873-29-6)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids];H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation];H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P330, P337+P317, P342+P316, P361+P364, P370+P378, P403, P403+P233, P403+P235, 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.

유해성 정보

Hazards IdentificationToxic/poison by inhalation (TIH/PIH)
Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelPoison Inhalation Hazard Flammable Liquid
Fire Hazards · 2건

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:;HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapors may travel to source of ignition and flash back. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff. Corrosives in contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water. (ERG, 2024)

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.;· Vapors form explosive mixtures with air: indoors, outdoors and sewers explosion hazards.;· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.).;· Vapors may travel to source of ignition and flash back.;· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.;· Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff.;· Corrosives in contact with metals may evolve flammable hydrogen gas.;· Containers may explode when heated or if contaminated with water.

Health Hazards · 2건

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:;TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Bromoacetates and chloroacetates are extremely irritating/lachrymators (cause eye irritation and flow of tears). Reaction with water or moist air may release toxic, corrosive or flammable gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)

· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.;· Bromoacetates and chloroacetates are extremely irritating/lachrymators (cause eye irritation and flow of tears).;· Reaction with water or moist air may release toxic, corrosive or flammable gases.;· Reaction with water may generate much heat that will increase the concentration of fumes in the air.;· Fire will produce irritating, corrosive and/or toxic gases.;· Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination.

Hazards SummaryMay cause severe irritation; [CAMEO] See n-Butyl isocyanate.

안전 및 보호

Fire Fighting · 1건

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:;Note: Most foams will react with the material and release corrosive/toxic gases. CAUTION: For Acetyl chloride (UN1717), use CO2 or dry chemical only.;SMALL FIRE: CO2, dry chemical, dry sand, alcohol-resistant foam.;LARGE FIRE: Water spray, fog or alcohol-resistant foam. FOR CHLOROSILANES, DO NOT USE WATER; use alcohol-resistant foam. If it can be done safely, move undamaged containers away from the area around the fire. Avoid aiming straight or solid streams directly onto the product.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. (ERG, 2024)

Accidental Release Measures · 2건

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.;· Keep unauthorized personnel away.;· Stay upwind, uphill and/or upstream.;· Ventilate closed spaces before entering, but only if properly trained and equipped.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.;· All equipment used when handling the product must be grounded.;· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.;· Stop leak if you can do it without risk.;· A vapor-suppressing foam may be used to reduce vapors.;· FOR CHLOROSILANES, use alcohol-resistant foam to reduce vapors.;· DO NOT GET WATER on spilled substance or inside containers.;· Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material.;· Prevent entry into waterways, sewers, basements or confined areas.;Small Spill;· Cover with DRY earth, DRY sand or other non-combustible material followed with plastic sheet to minimize spreading or contact with rain.;· Use clean, non-sparking tools to collect material and place it into loosely covered plastic containers for later disposal.

First Aid · 2건

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:;Refer to the "General First Aid" section. Specific First Aid: For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. (ERG, 2024)

General First Aid:;· Call 911 or emergency medical service.;· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.;· Move victim to fresh air if it can be done safely.;· Administer oxygen if breathing is difficult.;· If victim is not breathing:;-- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.;-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).;-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.;· Remove and isolate contaminated clothing and shoes.;· For minor skin contact, avoid spreading material on unaffected skin.;· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.;· For severe burns, immediate medical attention is required.;· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.;· Keep victim calm and warm.;· Keep victim under observation.;· For further assistance, contact your local Poison Control Center.;· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.;Specific First Aid:;· For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required.

Exposure Control and Personal Protection · 2건

· Wear positive pressure self-contained breathing apparatus (SCBA).;· Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE.;· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.

TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].

Nonfire Spill Response · 1건

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. A vapor-suppressing foam may be used to reduce vapors. FOR CHLOROSILANES, use alcohol-resistant foam to reduce vapors. DO NOT GET WATER on spilled substance or inside containers. Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material. Prevent entry into waterways, sewers, basements or confined areas.;SMALL SPILL: Cover with DRY earth, DRY sand or other non-combustible material followed with plastic sheet to minimize spreading or contact with rain. Use clean, non-sparking tools to collect material and place it into loosely covered plastic containers for later disposal. (ERG, 2024)

Isolation and Evacuation · 4건

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: See ERG Table 1 - Initial Isolation and Protective Action Distances on the UN/NA 2486 datasheet.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Immediate precautionary measure;· Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;Spill;· For highlighted materials: see Table 1 - Initial Isolation and Protective Action Distances.;· For non-highlighted materials: increase the immediate precautionary measure distance, in the downwind direction, as necessary.;Fire;· If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.

Small spill:;- ISOLATE in all directions: 60 m (200 ft);Large spill:;- ISOLATE in all directions: 300 m (1000 ft)

Small spill:;- PROTECT people from downwind during DAY time: 0.6 km (0.4 mi);- PROTECT people from downwind during NIGHT time: 1.3 km (0.8 mi);Large spill:;- PROTECT people from downwind during DAY time: 3.4 km (2.1 mi);- PROTECT people from downwind during NIGHT time: 4.8 km (3.0 mi)

규제 정보

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

안전 데이터

rtecs
NQ9208000
ridadr
UN 2486
포장분류
I
위험 등급
6.1

화학 및 산업

용도 및 제조

UsesUsed to make pesticides and pharmaceuticals; [CAMEO]

응용 분야

용도Isobutyl Isocyanate, is an building block that cna be used for the synthesis of Boceprevir (B674500), a novel, potent, selective, orally bioavailable NS3 protease inhibitor used for the treatment of Hepatitis C virus (HCV) infection.

일반 설명A colorless liquid. Flash point near 40°F. Less dense than water. Contact may severely irritate skin, eyes and mucous membranes. May be very toxic by ingestion, inhalation and skin absorption. Used to make pesticides and pharmaceuticals.

공급사10 곳

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Syntechem Co.,Ltd[email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]

관련 반응

10건

연결된 노트

불러오는 중…